 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_M11_def2SVPD.in
 Output=22_phenylethanamine_conformer03_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-255702.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    255722.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer03_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:46:10 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:46:11 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.05D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:46:12 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.708673899984    
 DIIS: error= 5.93D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.708673899984     IErMin= 1 ErrMin= 5.93D-03
 ErrMax= 5.93D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-02 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.41D-01 WtEn= 5.93D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.410 Goal=   None    Shift=    0.000
 GapD=    0.410 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.36D-02 MaxDP=4.26D-01              OVMax= 2.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.19D-02    CP:  1.20D+00
 E= -365.722937497219     Delta-E=       -0.014263597236 Rises=F Damp=F
 DIIS: error= 6.61D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.722937497219     IErMin= 2 ErrMin= 6.61D-04
 ErrMax= 6.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-04 BMatP= 1.27D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.61D-03
 Coeff-Com: -0.946D-01 0.109D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.939D-01 0.109D+01
 Gap=     0.396 Goal=   None    Shift=    0.000
 RMSDP=2.89D-03 MaxDP=9.71D-02 DE=-1.43D-02 OVMax= 8.17D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.32D-03    CP:  1.26D+00  1.13D+00
 E= -365.723504781586     Delta-E=       -0.000567284367 Rises=F Damp=F
 DIIS: error= 5.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.723504781586     IErMin= 3 ErrMin= 5.70D-04
 ErrMax= 5.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.68D-05 BMatP= 3.28D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.70D-03
 Coeff-Com: -0.492D-01 0.361D+00 0.688D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.489D-01 0.359D+00 0.690D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=2.53D-04 MaxDP=1.50D-02 DE=-5.67D-04 OVMax= 2.69D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.10D-04    CP:  1.26D+00  1.14D+00  1.03D+00
 E= -365.723578982803     Delta-E=       -0.000074201217 Rises=F Damp=F
 DIIS: error= 1.18D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.723578982803     IErMin= 4 ErrMin= 1.18D-04
 ErrMax= 1.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.09D-06 BMatP= 8.68D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.18D-03
 Coeff-Com: -0.887D-03-0.582D-01 0.193D+00 0.866D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.886D-03-0.581D-01 0.192D+00 0.867D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.42D-03 DE=-7.42D-05 OVMax= 1.31D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.87D-05    CP:  1.26D+00  1.14D+00  1.05D+00  9.69D-01
 E= -365.723590775082     Delta-E=       -0.000011792280 Rises=F Damp=F
 DIIS: error= 4.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.723590775082     IErMin= 5 ErrMin= 4.14D-05
 ErrMax= 4.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.73D-07 BMatP= 9.09D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.271D-02-0.303D-01-0.161D-01 0.156D+00 0.888D+00
 Coeff:      0.271D-02-0.303D-01-0.161D-01 0.156D+00 0.888D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=2.70D-05 MaxDP=7.98D-04 DE=-1.18D-05 OVMax= 4.79D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.67D-05    CP:  1.26D+00  1.14D+00  1.06D+00  9.79D-01  1.15D+00
 E= -365.723591690138     Delta-E=       -0.000000915056 Rises=F Damp=F
 DIIS: error= 9.05D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.723591690138     IErMin= 6 ErrMin= 9.05D-06
 ErrMax= 9.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-08 BMatP= 4.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.685D-03-0.245D-02-0.189D-01-0.370D-01 0.165D+00 0.892D+00
 Coeff:      0.685D-03-0.245D-02-0.189D-01-0.370D-01 0.165D+00 0.892D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=3.90D-04 DE=-9.15D-07 OVMax= 2.15D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.17D-06    CP:  1.26D+00  1.14D+00  1.06D+00  9.74D-01  1.23D+00
                    CP:  1.24D+00
 E= -365.723591826143     Delta-E=       -0.000000136005 Rises=F Damp=F
 DIIS: error= 4.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.723591826143     IErMin= 7 ErrMin= 4.10D-06
 ErrMax= 4.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-09 BMatP= 5.56D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.349D-03 0.489D-02 0.359D-03-0.315D-01-0.129D+00 0.120D+00
 Coeff-Com:  0.104D+01
 Coeff:     -0.349D-03 0.489D-02 0.359D-03-0.315D-01-0.129D+00 0.120D+00
 Coeff:      0.104D+01
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=6.06D-06 MaxDP=2.02D-04 DE=-1.36D-07 OVMax= 1.15D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.63D-06    CP:  1.26D+00  1.14D+00  1.06D+00  9.65D-01  1.27D+00
                    CP:  1.44D+00  1.32D+00
 E= -365.723591848543     Delta-E=       -0.000000022399 Rises=F Damp=F
 DIIS: error= 6.99D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.723591848543     IErMin= 8 ErrMin= 6.99D-07
 ErrMax= 6.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.63D-10 BMatP= 6.94D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.726D-04 0.693D-03 0.904D-03-0.169D-02-0.225D-01-0.344D-01
 Coeff-Com:  0.113D+00 0.944D+00
 Coeff:     -0.726D-04 0.693D-03 0.904D-03-0.169D-02-0.225D-01-0.344D-01
 Coeff:      0.113D+00 0.944D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.38D-06 MaxDP=5.07D-05 DE=-2.24D-08 OVMax= 2.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.21D-07    CP:  1.26D+00  1.14D+00  1.06D+00  9.63D-01  1.27D+00
                    CP:  1.48D+00  1.42D+00  1.15D+00
 E= -365.723591849452     Delta-E=       -0.000000000909 Rises=F Damp=F
 DIIS: error= 4.80D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.723591849452     IErMin= 9 ErrMin= 4.80D-07
 ErrMax= 4.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-10 BMatP= 3.63D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.224D-04-0.441D-03 0.308D-03 0.391D-02 0.954D-02-0.304D-01
 Coeff-Com: -0.101D+00 0.361D+00 0.757D+00
 Coeff:      0.224D-04-0.441D-03 0.308D-03 0.391D-02 0.954D-02-0.304D-01
 Coeff:     -0.101D+00 0.361D+00 0.757D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.54D-07 MaxDP=1.73D-05 DE=-9.09D-10 OVMax= 5.89D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  1.26D+00  1.14D+00  1.06D+00  9.62D-01  1.27D+00
                    CP:  1.49D+00  1.45D+00  1.21D+00  1.07D+00
 E= -365.723591849613     Delta-E=       -0.000000000161 Rises=F Damp=F
 DIIS: error= 9.18D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.723591849613     IErMin=10 ErrMin= 9.18D-08
 ErrMax= 9.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.14D-12 BMatP= 1.00D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-04-0.184D-03 0.209D-04 0.128D-02 0.463D-02-0.545D-02
 Coeff-Com: -0.380D-01 0.209D-01 0.208D+00 0.808D+00
 Coeff:      0.123D-04-0.184D-03 0.209D-04 0.128D-02 0.463D-02-0.545D-02
 Coeff:     -0.380D-01 0.209D-01 0.208D+00 0.808D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=4.03D-06 DE=-1.61D-10 OVMax= 1.66D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.36D-08    CP:  1.26D+00  1.14D+00  1.06D+00  9.62D-01  1.27D+00
                    CP:  1.49D+00  1.45D+00  1.22D+00  1.13D+00  1.15D+00
 E= -365.723591849608     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 3.99D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -365.723591849613     IErMin=11 ErrMin= 3.99D-08
 ErrMax= 3.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.15D-13 BMatP= 7.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.799D-06 0.611D-05-0.350D-04-0.158D-03 0.185D-04 0.259D-02
 Coeff-Com:  0.272D-02-0.446D-01-0.520D-01 0.221D+00 0.870D+00
 Coeff:      0.799D-06 0.611D-05-0.350D-04-0.158D-03 0.185D-04 0.259D-02
 Coeff:      0.272D-02-0.446D-01-0.520D-01 0.221D+00 0.870D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=4.76D-08 MaxDP=1.51D-06 DE= 5.12D-12 OVMax= 6.52D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.93D-08    CP:  1.26D+00  1.14D+00  1.06D+00  9.62D-01  1.27D+00
                    CP:  1.49D+00  1.45D+00  1.22D+00  1.15D+00  1.24D+00
                    CP:  1.09D+00
 E= -365.723591849622     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.07D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.723591849622     IErMin=12 ErrMin= 1.07D-08
 ErrMax= 1.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-14 BMatP= 9.15D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.921D-06 0.177D-04-0.988D-05-0.154D-03-0.442D-03 0.106D-02
 Coeff-Com:  0.424D-02-0.123D-01-0.314D-01-0.189D-01 0.219D+00 0.839D+00
 Coeff:     -0.921D-06 0.177D-04-0.988D-05-0.154D-03-0.442D-03 0.106D-02
 Coeff:      0.424D-02-0.123D-01-0.314D-01-0.189D-01 0.219D+00 0.839D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.85D-08 MaxDP=5.39D-07 DE=-1.34D-11 OVMax= 1.61D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.59D-09    CP:  1.26D+00  1.14D+00  1.06D+00  9.62D-01  1.27D+00
                    CP:  1.49D+00  1.45D+00  1.22D+00  1.16D+00  1.25D+00
                    CP:  1.15D+00  1.10D+00
 E= -365.723591849624     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 3.94D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -365.723591849624     IErMin=13 ErrMin= 3.94D-09
 ErrMax= 3.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-15 BMatP= 7.46D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.228D-06 0.293D-05 0.614D-06-0.164D-04-0.852D-04-0.167D-04
 Coeff-Com:  0.652D-03 0.124D-02-0.199D-02-0.219D-01-0.281D-01 0.167D+00
 Coeff-Com:  0.883D+00
 Coeff:     -0.228D-06 0.293D-05 0.614D-06-0.164D-04-0.852D-04-0.167D-04
 Coeff:      0.652D-03 0.124D-02-0.199D-02-0.219D-01-0.281D-01 0.167D+00
 Coeff:      0.883D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=3.05D-09 MaxDP=9.18D-08 DE=-2.50D-12 OVMax= 7.21D-08

 SCF Done:  E(RM11) =  -365.723591850     A.U. after   13 cycles
            NFock= 13  Conv=0.31D-08     -V/T= 2.0124
 KE= 3.612479572778D+02 PE=-1.696465635704D+03 EE= 5.442467329332D+02
 Leave Link  502 at Thu Aug 12 21:47:46 2021, MaxMem=  5368709120 cpu:             748.2 elap:              93.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.84587498D+02

 Leave Link  801 at Thu Aug 12 21:47:46 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 3.77D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.74D-01 7.79D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 2.70D-02 4.89D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.65D-03 1.21D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 2.44D-04 3.37D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 1.67D-05 6.65D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 7.16D-07 1.20D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.59D-08 1.80D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 2.64D-10 2.48D-06.
     11 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 5.48D-12 3.45D-07.
      7 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 9.04D-14 3.56D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131597D+03
      2  0.530071D+00  0.105878D+03
      3 -0.805692D+00  0.256438D+01  0.764610D+02
 Isotropic polarizability for W=    0.085645      104.65 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.642368D+02 -0.181352D+00  0.530893D+01
      2   0.130146D+02  0.417428D+01  0.527066D+01
      3   0.512222D+02 -0.399293D+01 -0.105796D+02
      4   0.694249D+01 -0.733190D+02 -0.167416D+02
      5  -0.959267D+01 -0.164038D+02  0.505564D+02
      6  -0.601890D+01 -0.681314D+01  0.279782D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.880763D+00 -0.263187D+01 -0.794644D+00
      2   0.302138D+01 -0.694604D+01  0.185102D+02
      3  -0.329050D+01  0.348377D+02  0.626590D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.337778D+00 -0.120838D+02 -0.679075D+01
      2   0.149016D+02 -0.107227D+02 -0.665860D+00
      3   0.712385D+01  0.863337D+02  0.103849D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.255627D+00  0.254846D+00  0.106292D+01
      2   0.254846D+00  0.892658D+00 -0.262850D+01
      3   0.106292D+01 -0.262850D+01 -0.436411D+00
 OR G Eigenvalues:    -2.8675     0.0625     3.0056  Iso=    -0.0669
 Eigenvectors:
   (1)  -0.360164   0.550760   0.752958
   (2)   0.921537   0.335580   0.195336
   (3)  -0.145094   0.764232  -0.628409
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0669 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -26.17 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 9.43D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.59D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.30D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 4.16D-02 3.63D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 2.62D-03 9.24D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 3.91D-05 8.14D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 4.15D-07 7.93D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 5.00D-09 9.98D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 5.38D-11 9.96D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 4.73D-13 1.02D-07.
     14 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 4.25D-15 8.78D-09.
      4 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 7.92D-16 5.01D-09.
      4 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 1.91D-15 6.73D-09.
      2 vectors produced by pass 11 Test12= 2.15D-14 2.78D-09 XBig12= 8.14D-16 4.66D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.58D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.58D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.99D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131597D+03  0.530071D+00 -0.805692D+00
      2   0.530071D+00  0.105878D+03  0.256438D+01
      3  -0.805692D+00  0.256438D+01  0.764610D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.880763D+00 -0.263187D+01 -0.794644D+00
      2   0.302138D+01 -0.694604D+01  0.185102D+02
      3  -0.329050D+01  0.348377D+02  0.626590D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.642368D+02 -0.181352D+00  0.530893D+01
      2   0.130146D+02  0.417428D+01  0.527066D+01
      3   0.512222D+02 -0.399293D+01 -0.105796D+02
      4   0.694249D+01 -0.733190D+02 -0.167416D+02
      5  -0.959267D+01 -0.164038D+02  0.505564D+02
      6  -0.601890D+01 -0.681314D+01  0.279782D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311632D+01 -0.520649D+00 -0.175271D+00  0.462277D+01 -0.156772D-01
      2  -0.520649D+00 -0.140936D+01  0.378098D-01 -0.156772D-01  0.935197D+00
      3  -0.175271D+00  0.378098D-01 -0.958372D+00  0.171316D+00 -0.479089D+00
                 6             7             8             9            10 
      1   0.171316D+00  0.535138D+00  0.229832D+00 -0.184182D+01 -0.260008D+01
      2  -0.479089D+00  0.229832D+00 -0.737191D+00  0.375261D+01 -0.875656D+00
      3   0.209320D+01 -0.184182D+01  0.375261D+01  0.121714D+01  0.133017D+00
                11            12            13            14            15 
      1  -0.875656D+00  0.133017D+00  0.719598D+01  0.118662D+00 -0.244645D+00
      2   0.289544D+01  0.165508D+00  0.118662D+00  0.105277D+01 -0.325577D+00
      3   0.165508D+00  0.159955D+01 -0.244645D+00 -0.325577D+00  0.153847D+01
                16            17            18            19            20 
      1   0.902285D+00 -0.109380D+00  0.172925D+01  0.146724D+02 -0.116508D+01
      2  -0.109380D+00 -0.449547D+00  0.303321D+01 -0.116508D+01  0.256066D+01
      3   0.172925D+01  0.303321D+01  0.529652D+00 -0.114752D+00  0.185588D+00
                21            22            23            24            25 
      1  -0.114752D+00 -0.281925D+01 -0.142080D+01 -0.720133D+00 -0.830362D+00
      2   0.185588D+00 -0.142080D+01 -0.876359D+00 -0.142449D+00 -0.615174D+00
      3   0.164852D+01 -0.720133D+00 -0.142449D+00  0.272860D+00  0.389428D+01
                26            27            28            29            30 
      1  -0.615174D+00  0.389428D+01 -0.403934D+01  0.227297D+01  0.219002D+00
      2  -0.257606D+00 -0.170280D+00  0.227297D+01  0.213622D+01  0.459653D-01
      3  -0.170280D+00  0.200879D+00  0.219002D+00  0.459653D-01  0.113338D+01
                31            32            33            34            35 
      1  -0.571705D+01  0.413229D-01  0.466009D-01 -0.575777D+00 -0.142981D+00
      2   0.413229D-01 -0.114242D+01  0.312380D+00 -0.142981D+00  0.673395D+00
      3   0.466009D-01  0.312380D+00 -0.208863D+01  0.101836D+01 -0.387895D+01
                36            37            38            39            40 
      1   0.101836D+01  0.152475D+01 -0.381493D+00 -0.160069D-01 -0.477548D+01
      2  -0.387895D+01 -0.381493D+00 -0.276370D+01 -0.275429D+00  0.909414D+00
      3  -0.128179D+01 -0.160069D-01 -0.275429D+00 -0.142864D+01  0.341607D+00
                41            42            43            44            45 
      1   0.909414D+00  0.341607D+00 -0.662566D+00  0.379580D+00 -0.289011D+01
      2  -0.260113D+00  0.556161D+00  0.379580D+00  0.643434D+00 -0.311345D+01
      3   0.556161D+00 -0.174171D+01 -0.289011D+01 -0.311345D+01 -0.626875D+00
                46            47            48            49            50 
      1  -0.465752D+01  0.458402D-01  0.333522D-02  0.630982D+00  0.576128D+00
      2   0.458402D-01 -0.314970D+01 -0.913529D-01  0.576128D+00 -0.348585D+00
      3   0.333522D-02 -0.913529D-01 -0.250104D+01  0.704736D+00 -0.218901D+00
                51            52            53            54            55 
      1   0.704736D+00  0.128336D+00  0.610793D+00 -0.516972D+01 -0.158653D+01
      2  -0.218901D+00  0.610793D+00 -0.430966D-01  0.570489D+00 -0.597662D+00
      3   0.384164D+00 -0.516972D+01  0.570489D+00  0.191050D+00  0.375450D+00
                56            57            58            59            60 
      1  -0.597662D+00  0.375450D+00 -0.185353D+01 -0.151881D+01  0.134792D+01
      2  -0.707879D+00  0.104385D+01 -0.151881D+01  0.588934D+01  0.259707D+01
      3   0.104385D+01 -0.334627D+01  0.134792D+01  0.259707D+01 -0.245508D+01
                61            62            63            64            65 
      1  -0.285567D+00  0.925781D+00 -0.554707D+01 -0.765515D+01  0.230407D-01
      2   0.925781D+00  0.222249D+01 -0.721508D+00  0.230407D-01  0.775674D+00
      3  -0.554707D+01 -0.721508D+00  0.331242D+00 -0.101026D+00 -0.455647D+00
                66            67            68            69            70 
      1  -0.101026D+00 -0.182084D-01  0.118761D+01 -0.891504D+00  0.312161D+01
      2  -0.455647D+00  0.118761D+01 -0.383547D+01 -0.113551D+01 -0.654447D+00
      3   0.117011D+01 -0.891504D+00 -0.113551D+01 -0.586226D+00  0.336216D+01
                71            72            73            74            75 
      1  -0.654447D+00  0.336216D+01 -0.874173D+01  0.193637D+01  0.263645D+00
      2  -0.172208D+01 -0.991506D+00  0.193637D+01  0.826465D+00 -0.725258D+00
      3  -0.991506D+00  0.446528D+01  0.263645D+00 -0.725258D+00  0.427730D+01
                76            77            78            79            80 
      1   0.423657D+01  0.929968D+00 -0.121505D+01 -0.214605D+01 -0.101121D+01
      2   0.929968D+00 -0.491113D+01 -0.161284D+01 -0.101121D+01 -0.143436D+01
      3  -0.121505D+01 -0.161284D+01  0.322214D+01  0.403511D+01  0.197199D+01
                81            82            83            84            85 
      1   0.403511D+01 -0.521553D+00  0.615749D+00  0.651375D-01  0.178811D+01
      2   0.197199D+01  0.615749D+00 -0.859183D+00 -0.151486D+00 -0.786355D-01
      3   0.332876D+01  0.651375D-01 -0.151486D+00 -0.815852D+00  0.363893D+00
                86            87            88            89            90 
      1  -0.786355D-01  0.363893D+00  0.442652D+00  0.181285D+00  0.111469D+00
      2   0.390100D+01  0.238876D+01  0.181285D+00  0.209229D+01  0.103286D+01
      3   0.238876D+01  0.209311D+01  0.111469D+00  0.103286D+01  0.202697D+01
                91            92            93            94            95 
      1   0.903761D-01 -0.137704D+01 -0.410421D+00 -0.229226D+01  0.177699D+01
      2  -0.137704D+01  0.121092D+01  0.134104D+00  0.177699D+01 -0.711925D+01
      3  -0.410421D+00  0.134104D+00  0.836704D+00  0.598395D-01 -0.126537D+01
                96            97            98            99           100 
      1   0.598395D-01 -0.489823D+00  0.157567D+00  0.946103D+00  0.352727D+00
      2  -0.126537D+01  0.157567D+00 -0.129341D+01 -0.123887D+01  0.772938D+00
      3  -0.141566D+01  0.946103D+00 -0.123887D+01 -0.818657D+00  0.234466D+00
               101           102           103           104           105 
      1   0.772938D+00  0.234466D+00  0.186376D+01  0.703988D+00 -0.329805D+00
      2  -0.394869D-01  0.137702D+00  0.703988D+00  0.687441D+01 -0.245164D+00
      3   0.137702D+00 -0.649098D+00 -0.329805D+00 -0.245164D+00  0.133804D+01
               106           107           108           109           110 
      1   0.854752D+00  0.187565D+00 -0.461794D+00 -0.179984D+00 -0.376308D+00
      2   0.187565D+00  0.670428D+00  0.732324D+00 -0.376308D+00 -0.463621D+00
      3  -0.461794D+00  0.732324D+00 -0.186231D+00 -0.118621D+01  0.203258D-01
               111           112           113           114           115 
      1  -0.118621D+01 -0.849096D+00 -0.199174D+00  0.137267D+00 -0.141811D+01
      2   0.203258D-01 -0.199174D+00 -0.100589D+00 -0.106974D+01 -0.947354D-01
      3  -0.251808D+01  0.137267D+00 -0.106974D+01 -0.153263D+01 -0.566842D+00
               116           117           118           119           120 
      1  -0.947354D-01 -0.566842D+00  0.128316D+02 -0.749963D+00 -0.194900D+01
      2  -0.100362D+01 -0.451002D+00 -0.749963D+00  0.104125D+01  0.230308D-02
      3  -0.451002D+00 -0.923970D+01 -0.194900D+01  0.230308D-02  0.134809D+01
               121           122           123           124           125 
      1  -0.218729D+01  0.129436D+01  0.523739D+00 -0.316005D+00  0.193847D+00
      2   0.129436D+01 -0.119320D+00 -0.690711D-01  0.193847D+00  0.210728D+00
      3   0.523739D+00 -0.690711D-01 -0.849368D+00  0.116663D+01 -0.334368D+00
               126           127           128           129           130 
      1   0.116663D+01  0.159082D+01 -0.183953D+01 -0.166823D+00 -0.156132D+01
      2  -0.334368D+00 -0.183953D+01  0.214436D+01  0.194324D+00  0.202382D+01
      3  -0.822808D+00 -0.166823D+00  0.194324D+00  0.217482D+00  0.187557D+00
               131           132           133           134           135 
      1   0.202382D+01  0.187557D+00 -0.912745D-01  0.212461D+00  0.428114D-02
      2  -0.906236D+01 -0.676042D+00  0.212461D+00 -0.720430D+00 -0.298124D+00
      3  -0.676042D+00 -0.988443D+00  0.428114D-02 -0.298124D+00 -0.935458D-01
               136           137           138           139           140 
      1  -0.511712D+01 -0.395145D+01 -0.346699D+00 -0.376282D+01 -0.447501D+01
      2  -0.395145D+01 -0.360866D+01 -0.251144D+00 -0.447501D+01 -0.667747D+01
      3  -0.346699D+00 -0.251144D+00 -0.653132D+00 -0.422691D+00 -0.545566D+00
               141           142           143           144           145 
      1  -0.422691D+00 -0.322262D+00 -0.441427D+00 -0.222662D+00 -0.131374D+02
      2  -0.545566D+00 -0.441427D+00 -0.688234D+00 -0.264252D+00  0.147369D+01
      3  -0.869046D+00 -0.222662D+00 -0.264252D+00 -0.918409D-01  0.232415D+00
               146           147           148           149           150 
      1   0.147369D+01  0.232415D+00  0.141060D+01 -0.176454D+01 -0.180520D+00
      2  -0.955829D+00 -0.733267D-02 -0.176454D+01  0.545168D+00  0.471067D-01
      3  -0.733267D-02 -0.101645D+01 -0.180520D+00  0.471067D-01  0.159484D+00
               151           152           153           154           155 
      1   0.134326D+00 -0.185393D+00 -0.116225D+00 -0.226186D+01  0.264473D+01
      2  -0.185393D+00  0.473993D-01  0.564792D-01  0.264473D+01 -0.278679D+01
      3  -0.116225D+00  0.564792D-01 -0.444234D-01  0.286416D+00 -0.281864D+00
               156           157           158           159           160 
      1   0.286416D+00  0.227427D+01 -0.380448D+01 -0.389339D+00  0.271501D+00
      2  -0.281864D+00 -0.380448D+01  0.981194D+01  0.903296D+00 -0.399276D+00
      3  -0.379820D+00 -0.389339D+00  0.903296D+00  0.103054D+01 -0.137580D+00
               161           162           163           164           165 
      1  -0.399276D+00 -0.137580D+00  0.373039D+01  0.241617D+01  0.384068D-01
      2   0.944709D+00  0.333823D+00  0.241617D+01  0.238167D+01  0.146415D+00
      3   0.333823D+00  0.217373D+00  0.384068D-01  0.146415D+00  0.465645D+00
               166           167           168           169           170 
      1   0.265701D+01  0.286618D+01  0.296361D+00 -0.300553D-01  0.264398D+00
      2   0.286618D+01  0.575641D+01  0.456646D+00  0.264398D+00  0.585004D+00
      3   0.296361D+00  0.456646D+00  0.831150D+00  0.124624D-01  0.168125D+00
               171           172           173           174           175 
      1   0.124624D-01  0.125888D+02 -0.366648D+00  0.261492D+01 -0.843755D+00
      2   0.168125D+00 -0.366648D+00  0.771551D+00  0.125624D+00  0.848672D+00
      3   0.528650D-01  0.261492D+01  0.125624D+00  0.156995D+01  0.212856D+00
               176           177           178           179           180 
      1   0.848672D+00  0.212856D+00  0.777242D+00  0.310917D+00  0.673719D+00
      2  -0.313177D+00  0.523883D+00  0.310917D+00  0.259698D+00 -0.189599D+00
      3   0.523883D+00 -0.436351D+00  0.673719D+00 -0.189599D+00  0.644652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146086D+00 -0.157063D+00  0.184613D+01 -0.541007D+00  0.607867D-01
      2   0.303225D+00  0.121190D+01  0.788103D+00  0.481065D+00  0.132200D+01
      3  -0.293258D+01 -0.133116D+02 -0.125203D+01  0.402451D+01 -0.397209D-01
                 6             7             8             9            10 
      1  -0.275128D+01  0.461300D+01  0.829496D+00 -0.353025D+00 -0.740743D+00
      2  -0.468668D+01 -0.795801D+01 -0.851245D+01 -0.187716D+01 -0.299548D+00
      3  -0.760979D+00  0.804389D+00 -0.142009D+01  0.468809D+01  0.553959D-01
                11            12            13            14            15 
      1   0.131593D+00 -0.247773D+01  0.647595D+00 -0.253205D+00 -0.206498D+01
      2   0.307275D+00 -0.144133D+01  0.117057D+01 -0.347405D+00 -0.169978D+01
      3  -0.640101D+00  0.108475D+00  0.166688D+01  0.504553D+01 -0.286179D+00
                16            17            18            19            20 
      1  -0.657167D+01  0.388847D+01  0.620319D-01  0.269267D+00  0.308528D-01
      2  -0.129931D+02 -0.728136D+00 -0.378433D+00  0.575949D+00 -0.473649D+00
      3  -0.186167D+01  0.217338D-01  0.618069D+01 -0.323722D+01  0.564133D+01
                21            22            23            24            25 
      1  -0.201772D+00  0.320080D+00 -0.988363D+00  0.162858D+01  0.841361D+00
      2  -0.224141D+01 -0.639939D+00 -0.588894D+00  0.116600D+01 -0.141208D+02
      3   0.615484D+00  0.145960D+02 -0.515735D+00  0.851376D+00  0.100493D+01
                26            27            28            29            30 
      1   0.912212D+01  0.116541D+01 -0.228550D+00 -0.242356D+00  0.148584D+01
      2   0.143507D+00 -0.351551D+00 -0.106944D+01  0.415275D+00 -0.725111D+00
      3   0.819138D+00 -0.206361D+01  0.708475D+01 -0.581046D+01 -0.690939D+00
                31            32            33            34            35 
      1  -0.720822D+00  0.127547D-01 -0.255552D+01  0.373237D+01  0.136713D+01
      2   0.122293D+01  0.536929D+00  0.195637D+01 -0.134797D+02  0.211207D+01
      3   0.454975D+01 -0.528467D+01 -0.219267D-01 -0.149689D+01 -0.112697D+00
                36            37            38            39            40 
      1  -0.645425D+00  0.790375D-02 -0.195785D-01 -0.207553D+01  0.776387D+00
      2   0.146870D+01  0.293087D+00  0.856028D+00  0.225624D+01 -0.522201D+00
      3  -0.475581D+01 -0.389431D+01 -0.883419D+01 -0.686135D+00  0.741460D+01
                41            42            43            44            45 
      1   0.843452D-02 -0.146270D+01 -0.589849D+01  0.412242D+01  0.467112D+00
      2  -0.161778D+01  0.521764D+01 -0.315903D+01  0.942370D+01  0.185027D+01
      3  -0.126638D+01  0.858115D+00  0.128117D+01  0.131729D+01 -0.481424D+01
                46            47            48            49            50 
      1   0.110930D-01  0.523370D-02  0.752223D+00 -0.940720D-02 -0.155204D+01
      2  -0.192088D+00 -0.103214D+00  0.677966D+01 -0.208624D+01  0.142346D+00
      3   0.232400D+01 -0.620845D+01  0.601149D-01  0.117089D+02  0.248352D+01
                51            52            53            54            55 
      1   0.168852D+01  0.180256D+01  0.108851D+02  0.129031D+01  0.147505D+00
      2  -0.146155D+01  0.667455D+01 -0.238769D+01 -0.684027D+00  0.990590D+00
      3  -0.359882D+00  0.113630D+01 -0.475332D-01  0.138401D+01  0.454121D+01
                56            57            58            59            60 
      1  -0.750957D+00  0.560701D+00  0.624929D+00 -0.890273D+00 -0.515291D+01
      2   0.129879D+01 -0.277372D+01  0.110532D+01  0.542940D+01 -0.481537D+01
      3   0.139760D+01 -0.185328D+01  0.103449D+02 -0.132129D+02 -0.749152D+01
                61            62            63            64            65 
      1  -0.175484D+01 -0.481991D+00  0.571560D+00 -0.125782D+01  0.329033D+01
      2  -0.136331D+02 -0.124586D+00 -0.201897D+01  0.150501D+02 -0.611537D+00
      3  -0.178856D+00 -0.573500D+01  0.472120D+01  0.268330D+01 -0.694713D+01
                66            67            68            69            70 
      1  -0.144377D+01  0.533736D+00 -0.879338D+01 -0.816654D+01  0.814717D+00
      2   0.905025D+01  0.743585D+00 -0.554677D+01 -0.423549D+00  0.180965D+01
      3   0.598574D+00 -0.196940D+00  0.107459D+02  0.547047D+01 -0.158571D+01
                71            72            73            74            75 
      1   0.144229D+01  0.242315D+01 -0.299064D+01 -0.195118D+01 -0.132930D+01
      2  -0.221463D+01  0.783490D+01 -0.107828D+02  0.628285D+00  0.143625D+02
      3   0.509971D+01  0.891037D+00 -0.116747D+02 -0.552998D+01  0.312506D+01
                76            77            78            79            80 
      1   0.666271D-01  0.852901D+01 -0.169816D+01  0.193890D+00  0.384989D+01
      2   0.565244D+00 -0.285449D+01  0.640216D+01  0.560600D+01  0.358861D+01
      3  -0.120173D+00  0.168216D+02  0.415783D+01  0.353043D+01  0.387826D+01
                81            82            83            84            85 
      1  -0.821136D+01  0.221909D+01 -0.238032D+01  0.519075D+00 -0.119019D+01
      2   0.171573D+02  0.248310D+01 -0.130386D+01 -0.126326D+01 -0.250088D+01
      3  -0.492792D+01 -0.330670D+01  0.315088D+01  0.131752D-01  0.327766D+01
                86            87            88            89            90 
      1   0.970153D+01  0.307462D+01  0.225723D+00  0.493902D+01  0.156758D+01
      2   0.675724D+01  0.490164D+01 -0.812081D+00  0.217251D+01  0.398146D+01
      3  -0.100975D+02 -0.650221D+01 -0.841879D+00 -0.521070D+01 -0.263154D+01
                91            92            93            94            95 
      1   0.319652D+00 -0.284505D+00  0.779131D+00 -0.499171D-01  0.148840D+01
      2  -0.934892D+00  0.175829D+00  0.210546D+01 -0.348569D+00 -0.256310D+01
      3   0.343816D+01 -0.242261D+01 -0.128472D+00  0.216003D+01  0.145503D+02
                96            97            98            99           100 
      1  -0.259494D+01  0.682730D+00  0.120252D+01 -0.570148D+00 -0.184012D+01
      2  -0.277373D+01 -0.633282D-01 -0.195949D+01 -0.111579D+01  0.575686D+00
      3   0.287599D+01  0.370584D+00  0.294461D+01  0.176746D+01 -0.403633D+01
               101           102           103           104           105 
      1   0.374843D+00  0.667215D+00  0.284718D+00 -0.105020D+02 -0.327393D+01
      2   0.876540D+00 -0.794833D+00  0.103820D+01  0.167329D+00  0.290094D+01
      3   0.940730D+00  0.469663D+00  0.344497D+01 -0.199272D+02 -0.507768D+00
               106           107           108           109           110 
      1   0.362759D+00 -0.289659D+00 -0.117281D+01  0.111599D+01  0.169481D+01
      2  -0.141432D+01  0.167451D+01 -0.716496D+00 -0.490098D+01 -0.670382D+00
      3   0.142708D+01 -0.257394D+01 -0.262388D+01  0.107326D+01  0.829534D+00
               111           112           113           114           115 
      1   0.126750D+01  0.970779D+00  0.513572D+00  0.127746D+01  0.774505D+00
      2  -0.731292D+01 -0.129083D+01 -0.270189D+01 -0.383433D+01 -0.665216D+01
      3  -0.520630D+00  0.163994D+01  0.960035D-02  0.231668D+01 -0.526677D+00
               116           117           118           119           120 
      1   0.414203D+01  0.469417D+01  0.166326D+01 -0.200414D+01 -0.218413D+00
      2  -0.156261D+01 -0.238858D+02  0.104459D+02 -0.117229D+01  0.455880D+01
      3   0.190009D+01  0.631985D+00  0.710675D+01 -0.664813D+01 -0.597633D+00
               121           122           123           124           125 
      1  -0.175902D+01  0.906093D-01 -0.665951D+00 -0.393289D+00  0.424795D+00
      2  -0.117312D+01  0.125444D+01 -0.215416D+01  0.109494D+01 -0.823373D+00
      3  -0.328829D+01  0.324672D+00  0.112724D-01 -0.103204D+01 -0.152394D+00
               126           127           128           129           130 
      1   0.683625D+00  0.669997D-01 -0.819020D-01  0.153856D+01  0.353666D-01
      2  -0.115156D+01  0.674176D+00 -0.439045D+00  0.162455D+00 -0.560694D+00
      3   0.144981D+01 -0.623902D+01  0.419239D+01  0.384309D+00  0.712799D+01
               131           132           133           134           135 
      1   0.468259D+00 -0.419499D+01 -0.393363D+00  0.167776D+01 -0.610869D-01
      2   0.989219D+00 -0.316201D+00 -0.142712D+01  0.144390D+00 -0.318767D-01
      3  -0.939475D+01 -0.948310D+00  0.604682D+00 -0.644837D+00  0.164384D-02
               136           137           138           139           140 
      1   0.142466D+00  0.345341D+00 -0.231916D+01 -0.150976D+00  0.149668D+00
      2  -0.185702D-02 -0.188801D-01  0.301069D+01  0.470801D+00  0.841345D+00
      3  -0.169022D+01 -0.471664D+01 -0.127508D+00 -0.375836D+01 -0.111588D+02
               141           142           143           144           145 
      1  -0.322780D+01  0.773397D+00  0.131450D+01 -0.179517D+00 -0.397512D-01
      2   0.346741D+01 -0.706968D+00 -0.322297D+00  0.192291D+00 -0.295359D+00
      3  -0.697145D+00 -0.539290D+00 -0.128757D+01 -0.303560D+00  0.937657D+00
               146           147           148           149           150 
      1  -0.865279D-01  0.695848D+00  0.243320D-01 -0.182123D-01 -0.383884D+00
      2  -0.635305D-01  0.624812D+01  0.742298D+00 -0.126974D+00 -0.920098D+00
      3  -0.531676D+01  0.117459D+00 -0.401492D+01  0.169821D+01  0.121461D+00
               151           152           153           154           155 
      1  -0.367763D+00  0.548997D+00 -0.160595D-02 -0.511262D-01 -0.483971D-01
      2  -0.236861D+01  0.104170D+00  0.856699D-01 -0.109225D+00  0.155257D+00
      3  -0.691656D+00  0.218110D+00  0.128208D+00  0.649788D+00 -0.212455D+01
               156           157           158           159           160 
      1   0.161060D+01  0.819336D-01  0.285374D+00 -0.442253D+01 -0.472568D+00
      2   0.143260D+01  0.217564D+00 -0.116158D+01 -0.295401D+01 -0.433063D+00
      3  -0.107840D+00 -0.135421D+01  0.142452D+02  0.114051D+01 -0.242783D+00
               161           162           163           164           165 
      1   0.157770D+01 -0.312918D+00  0.584676D+00  0.430687D+00 -0.241926D+01
      2   0.132283D+00 -0.465743D+00 -0.116124D+01 -0.459351D+00  0.767708D+00
      3   0.135657D+01  0.258504D+00  0.104454D+02  0.398806D+01 -0.118477D+00
               166           167           168           169           170 
      1  -0.642046D-01  0.947548D-01 -0.310270D+01  0.113156D+00  0.169334D+01
      2  -0.564871D+00 -0.602505D+00  0.132987D+01 -0.171290D+01 -0.227592D+00
      3   0.758558D+01  0.544464D+01  0.651287D+00 -0.343889D+00  0.604753D+00
               171           172           173           174           175 
      1  -0.549353D-02  0.454762D+00  0.170323D+01  0.762110D+00  0.523864D+00
      2   0.112651D+00 -0.120492D+02  0.672621D+00  0.326003D+01  0.192978D+01
      3   0.880087D-01 -0.358229D+01 -0.456805D+01 -0.696726D+00 -0.994515D+00
               176           177           178           179           180 
      1   0.312291D+00 -0.180408D+00  0.117554D+01  0.682140D+00 -0.124197D+00
      2   0.671145D+00 -0.130258D+01 -0.652099D-01 -0.892776D+00  0.394898D+00
      3  -0.211706D+00 -0.127981D+01 -0.818231D+00 -0.975521D+00 -0.701039D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117182D+02  0.214302D+02  0.204952D+01 -0.190594D+02  0.126832D+02
      2  -0.121876D+02 -0.141746D+02 -0.439136D+00  0.176907D+02 -0.192420D+02
      3   0.469411D+00 -0.725564D+01 -0.161039D+01  0.136873D+01  0.655885D+01
      4   0.182181D+02 -0.739500D+01 -0.105540D+01  0.107464D+02  0.603470D+01
      5   0.153534D+01 -0.677367D+00  0.301047D-01 -0.314690D+00  0.298044D+01
      6  -0.171835D+01 -0.282487D+00 -0.372148D+01  0.234025D+01 -0.503467D+01
                 6             7             8             9            10 
      1   0.188457D+01 -0.201622D+01  0.120946D+01 -0.550134D+01 -0.193034D+01
      2  -0.312723D+01  0.269398D+01 -0.449808D+01 -0.240587D+01  0.568428D+00
      3   0.124266D+01 -0.677763D+00  0.328862D+01  0.790721D+01  0.136191D+01
      4   0.299574D+01 -0.242707D+00  0.396988D+01 -0.144601D+02 -0.147123D+02
      5  -0.973602D+01  0.122013D+02 -0.151251D+02 -0.420045D+01 -0.555448D+00
      6   0.599586D+01 -0.701645D+01  0.158783D+02  0.135238D+01  0.279695D+00
                11            12            13            14            15 
      1  -0.173315D+02 -0.211020D+01  0.625318D+01  0.503590D+01  0.224705D+01
      2   0.133079D+02 -0.971370D-01 -0.164059D+02 -0.838728D+01 -0.160771D+01
      3   0.402353D+01  0.220733D+01  0.101527D+02  0.335138D+01 -0.639337D+00
      4  -0.979629D+01 -0.688978D+00  0.581466D+01 -0.145874D+02 -0.120627D+01
      5  -0.781729D+00 -0.248496D+01  0.536309D+00 -0.113271D+01 -0.141426D+00
      6   0.359954D+00  0.524926D+01 -0.393708D+01 -0.288268D+01  0.457950D+01
                16            17            18            19            20 
      1   0.882086D+00  0.227645D+01 -0.146345D+02 -0.204633D+02  0.348578D+01
      2  -0.314349D+01 -0.341945D+01  0.136361D+01  0.594771D+01 -0.294777D+01
      3   0.226140D+01  0.114300D+01  0.132709D+02  0.145156D+02 -0.538005D+00
      4   0.104275D+01 -0.136986D+01 -0.307144D+01  0.202041D+01  0.183148D+01
      5   0.122280D+01 -0.132807D+01  0.346903D+00  0.136364D+01 -0.182951D+00
      6   0.647123D+01  0.112009D+02  0.201698D+00 -0.136205D+01 -0.379305D+00
                21            22            23            24            25 
      1   0.156736D+01 -0.168949D+01 -0.117558D+02 -0.707064D+00 -0.471889D-01
      2   0.794766D-01  0.577722D+01  0.177056D+02  0.353153D+01  0.187618D+01
      3  -0.164683D+01 -0.408773D+01 -0.594974D+01 -0.282447D+01 -0.182899D+01
      4  -0.146628D+00 -0.133928D+02  0.190346D+01 -0.807098D+00 -0.240285D+01
      5   0.847426D+00 -0.300860D+01 -0.548777D+00  0.221458D+01  0.770518D+01
      6  -0.155487D+01  0.150618D+01  0.250978D+01 -0.329868D+01 -0.166215D+01
                26            27            28            29            30 
      1  -0.935335D+00 -0.619284D+01  0.127740D+02  0.118100D+02  0.768125D+00
      2   0.213688D+01 -0.447459D+01 -0.102285D+02 -0.887970D+01  0.463275D-01
      3  -0.120154D+01  0.106674D+02 -0.254553D+01 -0.293031D+01 -0.814452D+00
      4  -0.467790D+00  0.975312D+00  0.762070D+01 -0.171324D+02 -0.156978D+01
      5   0.522937D+00 -0.806313D+00  0.814703D-01 -0.159500D+01 -0.324034D+01
      6   0.403656D+01 -0.218035D+01 -0.625998D+00 -0.325408D+00 -0.314480D+01
                31            32            33            34            35 
      1  -0.311925D+00  0.112030D+02  0.178628D+01  0.779185D-01  0.156339D+01
      2   0.895688D+01 -0.173918D+02 -0.312147D+01  0.210721D+01 -0.463470D+01
      3  -0.864496D+01  0.618883D+01  0.133519D+01 -0.218513D+01  0.307130D+01
      4   0.101983D+02  0.136230D+02  0.779397D+00 -0.366548D+00  0.468255D+00
      5   0.885850D+00  0.923749D+00  0.174884D+01  0.442600D+01  0.508028D+01
      6   0.207583D+01 -0.393552D+01  0.586230D+01 -0.244792D+01  0.159608D+02
                36            37            38            39            40 
      1  -0.150490D+02 -0.170984D+01 -0.245439D+02 -0.295623D+01  0.256050D+02
      2   0.266918D+01 -0.879111D+00  0.161277D+02  0.636659D+00 -0.254700D+02
      3   0.123798D+02  0.258895D+01  0.841627D+01  0.231957D+01 -0.135017D+00
      4   0.626552D+01 -0.169967D+02  0.195598D+01  0.964913D-01  0.189910D+00
      5   0.206285D+01 -0.114147D+01 -0.636476D-02  0.495979D+01 -0.225598D+01
      6   0.263039D+01 -0.298236D+00  0.106211D+01  0.497017D+01 -0.350335D+01
                41            42            43            44            45 
      1   0.601885D+01  0.495685D+00  0.231638D+01  0.924308D+00  0.142282D+01
      2  -0.103003D+02 -0.881504D+00 -0.465812D+01 -0.311604D+01 -0.783909D+01
      3   0.428144D+01  0.385819D+00  0.234174D+01  0.219173D+01  0.641627D+01
      4  -0.121757D+02 -0.410491D+01 -0.158098D+01 -0.451827D+01  0.149634D+02
      5  -0.398808D+01  0.106316D+02  0.186462D+02  0.152901D+02  0.385687D+01
      6  -0.346249D+01  0.344706D+01  0.791507D+01  0.118852D+02 -0.147193D+00
                46            47            48            49            50 
      1  -0.151193D+02  0.493384D+01  0.805277D+00 -0.931223D+01 -0.235790D+02
      2   0.102335D+02 -0.335045D+01 -0.285276D+00  0.946632D+01  0.209027D+02
      3   0.488576D+01 -0.158339D+01 -0.520000D+00 -0.154084D+00  0.267636D+01
      4   0.301660D+01  0.207855D+02  0.508830D+00 -0.213708D+02  0.380255D+01
      5   0.940534D+00  0.402650D+00  0.150754D+02 -0.552969D+01  0.907572D+00
      6   0.685648D+00  0.608760D-01 -0.189190D+01  0.131091D+01  0.227056D+01
                51            52            53            54            55 
      1  -0.394316D+01 -0.513919D+00 -0.386328D+01  0.137777D+02  0.128739D+02
      2   0.465107D+01  0.177758D+01  0.314779D+01 -0.176016D+02 -0.525367D+01
      3  -0.707911D+00 -0.126366D+01  0.715485D+00  0.382390D+01 -0.762027D+01
      4   0.135112D+01 -0.608790D+01  0.114691D+01 -0.385723D+01 -0.621139D+01
      5  -0.269627D+01  0.350097D+02 -0.372748D+01 -0.110947D+01  0.343810D+00
      6  -0.329214D+01 -0.261058D+01  0.411959D+01 -0.195148D+01  0.197940D+01
                56            57            58            59            60 
      1  -0.328595D+01  0.244939D+01 -0.798666D+01  0.294040D+01  0.560372D+01
      2   0.288129D+01 -0.767244D-01  0.106958D+02 -0.123832D+02 -0.766211D+01
      3   0.404653D+00 -0.237266D+01 -0.270911D+01  0.944280D+01  0.205839D+01
      4  -0.782664D+01  0.519630D+01 -0.811978D+01  0.264090D+02  0.124906D+02
      5   0.486911D+01 -0.182775D+02  0.795193D+01  0.118119D+02 -0.119371D+02
      6   0.556292D+00 -0.617362D+00  0.403236D+01 -0.654997D+01 -0.605292D+00
                61            62            63            64            65 
      1   0.601892D+00  0.235460D+01 -0.819032D+01 -0.412493D+02  0.147663D+01
      2   0.241653D+01 -0.477847D+01  0.102556D+02  0.192073D+02 -0.751016D-01
      3  -0.301842D+01  0.242386D+01 -0.206530D+01  0.220420D+02 -0.140153D+01
      4   0.584663D+01  0.102677D+02 -0.486974D+01  0.393123D+01  0.101501D+02
      5  -0.350703D+02 -0.544853D+01  0.388673D+01 -0.172592D+02 -0.340528D+01
      6  -0.243518D+01 -0.832673D+01  0.429003D+01 -0.141519D+01  0.469086D+01
                66            67            68            69            70 
      1  -0.609242D+01 -0.795568D+00  0.578505D+01  0.186796D+01 -0.173116D+01
      2   0.805700D+00  0.116151D+01  0.330757D+01 -0.327489D+00 -0.722580D+01
      3   0.528672D+01 -0.365940D+00 -0.909262D+01 -0.154048D+01  0.895696D+01
      4  -0.382453D+01  0.999962D+01 -0.180296D+02 -0.524301D+01 -0.433963D+01
      5   0.101131D+02 -0.609189D+01 -0.243731D+01 -0.395822D+01  0.245159D+02
      6  -0.140988D+01  0.340934D+01 -0.140746D+02 -0.820842D+00 -0.115552D+01
                71            72            73            74            75 
      1   0.826788D+00 -0.654607D+01 -0.537487D+02  0.857929D+01  0.124771D+02
      2   0.156071D+01 -0.166870D+02  0.299886D+02 -0.289926D+01  0.288972D+01
      3  -0.238750D+01  0.232330D+02  0.237602D+02 -0.568003D+01 -0.153668D+02
      4  -0.719873D+01 -0.399098D+01  0.100677D+02  0.689845D+01 -0.327652D+01
      5  -0.381875D+01  0.230118D+02  0.156660D+02 -0.612499D+01  0.175407D+02
      6   0.334262D+01 -0.514825D+01 -0.623184D+01 -0.284417D+01  0.240105D+01
                76            77            78            79            80 
      1   0.151566D+02  0.774151D+01  0.100546D+01  0.313583D+01  0.226568D+01
      2  -0.104255D+02 -0.156660D+02  0.540255D+01  0.558302D+01  0.597605D+00
      3  -0.473104D+01  0.792447D+01 -0.640801D+01 -0.871885D+01 -0.286329D+01
      4   0.637797D+01 -0.240180D+02 -0.841324D+01 -0.640050D+01 -0.717560D+01
      5  -0.114959D+02 -0.104352D+02  0.151860D+02  0.206637D+02  0.982743D+01
      6  -0.334287D+01  0.821114D+01  0.479341D+01  0.365426D+01  0.552140D+01
                81            82            83            84            85 
      1   0.255639D+02 -0.927431D+00  0.280793D+01  0.335905D+01  0.684072D+01
      2   0.316546D+00  0.122348D+01 -0.137688D+01 -0.204701D+00 -0.443236D+01
      3  -0.258805D+02 -0.296050D+00 -0.143105D+01 -0.315435D+01 -0.240836D+01
      4   0.125705D+02  0.226946D+01 -0.330894D+01  0.374752D+00  0.147919D+01
      5   0.320208D+01  0.680888D+00  0.135574D+01 -0.149164D+01  0.515281D+01
      6  -0.899716D+01  0.230368D+01 -0.276531D+01 -0.354755D+00 -0.453836D+00
                86            87            88            89            90 
      1  -0.101289D+02 -0.477802D+01  0.257873D+01 -0.283010D+01 -0.543735D+01
      2   0.500853D+01 -0.534896D+00 -0.142712D+01 -0.622128D+00 -0.136172D+01
      3   0.512042D+01  0.531292D+01 -0.115161D+01  0.345223D+01  0.679906D+01
      4   0.173971D+02  0.108960D+02  0.105332D+01  0.929735D+01  0.397439D+01
      5   0.841326D+01  0.850179D+01  0.256482D+01  0.372561D+01  0.655513D+01
      6   0.141283D+02  0.110983D+02  0.286288D+00  0.919782D+01  0.441804D+01
                91            92            93            94            95 
      1   0.163288D+01 -0.356888D+01 -0.935439D+00 -0.239956D+01 -0.113410D+02
      2   0.332054D+01 -0.223828D+00  0.902549D-01 -0.281958D+01  0.257278D+02
      3  -0.495342D+01  0.379271D+01  0.845184D+00  0.521913D+01 -0.143867D+02
      4  -0.811155D+01  0.109608D+02  0.144471D+01  0.124864D+02 -0.314483D+02
      5  -0.212821D+01  0.130159D+01  0.548296D+01  0.962243D+00 -0.514909D+01
      6   0.183773D+01 -0.134032D+01 -0.181916D+00 -0.150844D+01  0.762686D+01
                96            97            98            99           100 
      1  -0.234513D+01 -0.477557D+00 -0.220015D+01 -0.253826D+01  0.426382D+01
      2   0.440123D+01 -0.544691D-01  0.292600D+01  0.242101D+01  0.693283D+00
      3  -0.205610D+01  0.532026D+00 -0.725851D+00  0.117253D+00 -0.495711D+01
      4  -0.572312D+01  0.145139D+01 -0.578399D+01 -0.522191D+01  0.327931D+01
      5  -0.588325D+01  0.574282D+01 -0.463669D+01 -0.358588D+01 -0.435130D+00
      6   0.581746D+01 -0.143154D+01  0.803628D+01  0.305078D+01 -0.645676D+00
               101           102           103           104           105 
      1   0.385419D+01 -0.173435D+01  0.612169D+01 -0.113995D+02  0.137207D+01
      2  -0.198666D+01 -0.648770D+00 -0.231941D+01  0.249305D+02  0.158122D+01
      3  -0.186754D+01  0.238312D+01 -0.380228D+01 -0.135311D+02 -0.295330D+01
      4   0.309769D+01  0.576530D+00  0.850165D+01  0.343553D+02 -0.108505D+01
      5  -0.644984D+00 -0.184952D+01 -0.392275D+01  0.469389D-01  0.652331D+01
      6   0.255987D+00 -0.933092D+00 -0.174694D+01 -0.146003D+02  0.515340D+01
               106           107           108           109           110 
      1   0.218447D+01  0.127037D+01 -0.499762D+01 -0.218054D+01 -0.192467D+01
      2  -0.187805D+01  0.179208D+01  0.261957D+01 -0.313420D+01  0.316639D+00
      3  -0.306418D+00 -0.306246D+01  0.237805D+01  0.531475D+01  0.160803D+01
      4   0.206333D+01  0.393604D+01  0.300910D+01 -0.205047D+01 -0.167378D+01
      5  -0.141230D+01  0.332910D+01  0.476560D+00 -0.144425D+01  0.102360D+01
      6  -0.895642D-01  0.374810D+01  0.136254D+00  0.924427D+00  0.242633D+01
               111           112           113           114           115 
      1  -0.126949D+02 -0.357328D+01 -0.575377D+01 -0.367773D+01 -0.878618D+01
      2  -0.156794D+01  0.199333D+01  0.137942D+01 -0.245728D+01  0.239506D+01
      3   0.142629D+02  0.157995D+01  0.437435D+01  0.613502D+01  0.639112D+01
      4  -0.713580D+00  0.122810D+00 -0.282742D+00 -0.416074D+01 -0.140385D+01
      5  -0.255724D+01  0.254962D+01 -0.269498D+01 -0.572218D+01  0.537750D+01
      6   0.787080D-01  0.105619D+01  0.154727D+01  0.783723D+01 -0.490309D-01
               116           117           118           119           120 
      1  -0.171388D+01 -0.307876D+02  0.836848D+02 -0.590960D+01 -0.890860D+01
      2  -0.143476D+01 -0.168344D+02 -0.464307D+02  0.334440D+01  0.792406D+01
      3   0.314864D+01  0.476220D+02 -0.372541D+02  0.256520D+01  0.984540D+00
      4  -0.428692D+01 -0.378298D+01 -0.167982D+01  0.103456D+02 -0.446651D-01
      5  -0.142703D+01 -0.325100D+02 -0.319682D+02  0.164157D+01  0.147671D+02
      6   0.616333D+01  0.100476D+00  0.243881D+01 -0.337828D+01  0.306584D+00
               121           122           123           124           125 
      1  -0.124322D+02  0.743948D+01  0.727660D+00 -0.724973D+00  0.152822D-01
      2   0.705008D+01 -0.185283D+01 -0.197147D+01  0.337498D+01 -0.531352D+00
      3   0.538211D+01 -0.558664D+01  0.124381D+01 -0.265001D+01  0.516069D+00
      4   0.116120D+02 -0.179868D+01 -0.902152D+00  0.966399D+00  0.553772D+00
      5   0.596652D+01 -0.251484D+01 -0.507727D+01  0.123755D+02 -0.205571D+01
      6  -0.361958D+01  0.676647D+00  0.117653D+01  0.114493D+00  0.659450D+00
               126           127           128           129           130 
      1   0.555470D+01 -0.562547D+01  0.887338D+01  0.902762D+00  0.761189D+01
      2  -0.626139D+01  0.739499D+01 -0.109652D+02 -0.666788D+00 -0.967078D+01
      3   0.706693D+00 -0.176952D+01  0.209180D+01 -0.235974D+00  0.205889D+01
      4  -0.199330D+01 -0.350226D+01  0.724597D+01  0.583407D+00  0.519384D+01
      5  -0.605291D+01 -0.339360D+00  0.643203D+00  0.102232D+01  0.476362D+00
      6   0.756976D+00  0.983162D+00 -0.117185D+01 -0.194722D+01 -0.109649D+01
               131           132           133           134           135 
      1  -0.348050D+02 -0.291360D+01  0.881151D+00 -0.276884D+01 -0.208305D+01
      2   0.476711D+02  0.277806D+01 -0.105281D+01  0.333190D+01  0.284706D+01
      3  -0.128660D+02  0.135545D+00  0.171658D+00 -0.563064D+00 -0.764015D+00
      4   0.176720D+01  0.291482D+00  0.398337D+00  0.228298D+00 -0.138805D+01
      5   0.370928D+00  0.667216D-01  0.676037D+00 -0.632286D+00 -0.180724D+00
      6   0.502313D+01  0.700142D+01 -0.628763D+00  0.324801D+01  0.100927D+01
               136           137           138           139           140 
      1   0.228892D+02  0.143519D+02  0.131252D+01  0.925464D+01  0.362711D+01
      2  -0.435194D+01  0.761753D+00 -0.553628D+00  0.649045D+01  0.169292D+02
      3  -0.185372D+02 -0.151137D+02 -0.758891D+00 -0.157451D+02 -0.205563D+02
      4   0.340753D+02  0.308165D+02  0.214444D+01  0.340100D+02  0.444961D+02
      5   0.342113D+01  0.244473D+01  0.603004D+01  0.342367D+01  0.394290D+01
      6   0.141498D+01  0.119035D+01  0.331414D+01  0.219839D+01  0.306994D+01
               141           142           143           144           145 
      1   0.361075D+00  0.696192D+00  0.200148D+00  0.146632D+00  0.988315D+02
      2   0.384460D+00  0.427465D+00  0.121742D+01  0.121746D+01 -0.555450D+02
      3  -0.745535D+00 -0.112366D+01 -0.141757D+01 -0.136410D+01 -0.432865D+02
      4   0.347495D+01  0.329326D+01  0.405341D+01  0.332751D+01 -0.161850D+02
      5   0.566957D+01  0.239546D+01  0.268486D+01  0.942021D+00 -0.178539D+01
      6   0.566159D+01  0.197464D+01  0.297195D+01  0.101292D+01 -0.111566D+01
               146           147           148           149           150 
      1  -0.100075D+02 -0.162321D+01 -0.877977D+01  0.101437D+02  0.721843D+00
      2   0.491191D+01  0.108584D+01  0.363145D+01 -0.452802D+01 -0.591177D+00
      3   0.509563D+01  0.537363D+00  0.514832D+01 -0.561572D+01 -0.130666D+00
      4   0.101711D+02  0.767172D-01  0.166497D+02 -0.529976D+01 -0.430689D+00
      5  -0.120356D-01  0.106081D+02  0.142821D+01 -0.359641D+00 -0.136906D+01
      6   0.749366D-01 -0.970740D+00 -0.134736D+00 -0.787472D-01  0.146883D+01
               151           152           153           154           155 
      1  -0.121139D+01  0.721290D+00  0.395490D+01  0.514239D+01 -0.468472D+01
      2   0.625304D+00 -0.409951D+00 -0.232075D+01  0.394828D+01 -0.558198D+01
      3   0.586085D+00 -0.311340D+00 -0.163415D+01 -0.909067D+01  0.102667D+02
      4   0.147846D+01 -0.461522D+00 -0.846374D+00 -0.185866D+02  0.232752D+02
      5   0.348441D+01 -0.596294D+00  0.157072D-01 -0.184058D+01  0.200767D+01
      6  -0.348571D+00  0.644290D+00  0.158162D+00  0.134980D+01 -0.151315D+01
               156           157           158           159           160 
      1  -0.489956D+00  0.121976D+01 -0.173223D+02 -0.164422D+01  0.430051D-01
      2  -0.174384D+00 -0.122632D+02  0.413386D+02  0.262050D+01 -0.886829D+00
      3   0.664340D+00  0.110434D+02 -0.240163D+02 -0.976275D+00  0.843824D+00
      4   0.219904D+01  0.242995D+02 -0.485888D+02 -0.435034D+01  0.242404D+01
      5   0.355955D+01  0.221386D+01 -0.396554D+01 -0.510064D+01  0.152111D+01
      6  -0.234347D+01 -0.222604D+01  0.555196D+01  0.755447D+01 -0.165063D+01
               161           162           163           164           165 
      1  -0.147152D+01 -0.164929D+01 -0.450532D+01 -0.685951D+01 -0.773232D+00
      2   0.309694D+01  0.279299D+01  0.633814D+01  0.948806D+01  0.629609D+00
      3  -0.162542D+01 -0.114370D+01 -0.183282D+01 -0.262855D+01  0.143623D+00
      4  -0.467117D+01 -0.284425D+01  0.903447D+01  0.836237D+01  0.503921D+00
      5  -0.197508D+01 -0.129994D+01 -0.188419D+00  0.372168D+00  0.203497D+01
      6   0.387585D+01  0.167503D+01  0.748324D+00  0.101386D+01  0.248849D+01
               166           167           168           169           170 
      1  -0.794785D+01 -0.205163D+02 -0.201314D+01 -0.843793D+00 -0.196095D+01
      2   0.110948D+02  0.276517D+02  0.160306D+01  0.133652D+01  0.232846D+01
      3  -0.314697D+01 -0.713541D+01  0.410086D+00 -0.492729D+00 -0.367506D+00
      4   0.843171D+01  0.841627D+01  0.480797D+00  0.684185D+00  0.726100D+00
      5   0.622243D+00  0.481047D+00  0.155467D+01  0.100782D+01  0.863482D+00
      6   0.135271D+01  0.280177D+01  0.490793D+01  0.828075D+00  0.204898D+01
               171           172           173           174           175 
      1  -0.574109D+00  0.691109D+02 -0.278018D+01  0.115532D+02 -0.412888D+01
      2   0.146910D+01 -0.385845D+02  0.968363D+00 -0.893604D+01  0.504947D+00
      3  -0.894996D+00 -0.305264D+02  0.181182D+01 -0.261715D+01  0.362394D+01
      4   0.222098D+01 -0.496708D+01  0.711406D+01  0.179322D+00  0.836613D+01
      5   0.300663D+00  0.342472D+02 -0.669444D-01  0.142906D+02  0.449814D+00
      6   0.705728D+00 -0.153264D+01  0.230872D+01  0.263083D+00  0.148152D+01
               176           177           178           179           180 
      1   0.339848D+01  0.223911D+01  0.349184D+01  0.240669D+01  0.278678D+01
      2  -0.163099D+01 -0.125216D+01 -0.375002D+01 -0.400436D+00 -0.315983D+01
      3  -0.176749D+01 -0.986942D+00  0.258176D+00 -0.200625D+01  0.373049D+00
      4  -0.144546D+01  0.286081D+01  0.212286D+01  0.128610D+01 -0.980329D+00
      5   0.334745D+01 -0.475622D+00  0.854293D+01 -0.227811D-01  0.428265D+01
      6  -0.234010D+00  0.212264D+01  0.811906D+00  0.166501D+01 -0.509316D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:04:43 2021, MaxMem=  5368709120 cpu:            8114.7 elap:            1017.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.59544 -10.47174 -10.44850 -10.44408 -10.44301
 Alpha  occ. eigenvalues --  -10.44284 -10.44179 -10.44047 -10.43054  -1.02737
 Alpha  occ. eigenvalues --   -0.98827  -0.89386  -0.87745  -0.84858  -0.75915
 Alpha  occ. eigenvalues --   -0.72980  -0.69529  -0.64522  -0.60833  -0.57432
 Alpha  occ. eigenvalues --   -0.56568  -0.55448  -0.53600  -0.52666  -0.52148
 Alpha  occ. eigenvalues --   -0.49308  -0.48185  -0.46588  -0.43996  -0.43423
 Alpha  occ. eigenvalues --   -0.35309  -0.34908  -0.34479
 Alpha virt. eigenvalues --    0.04911   0.06215   0.06551   0.06703   0.06870
 Alpha virt. eigenvalues --    0.08891   0.09331   0.09947   0.12338   0.12690
 Alpha virt. eigenvalues --    0.13841   0.16117   0.17390   0.17992   0.18732
 Alpha virt. eigenvalues --    0.19956   0.20548   0.20724   0.21674   0.22655
 Alpha virt. eigenvalues --    0.23083   0.24028   0.24126   0.24829   0.25695
 Alpha virt. eigenvalues --    0.27919   0.28031   0.28319   0.29050   0.30327
 Alpha virt. eigenvalues --    0.30877   0.31481   0.31811   0.32083   0.33684
 Alpha virt. eigenvalues --    0.33818   0.34289   0.34904   0.35496   0.35893
 Alpha virt. eigenvalues --    0.36425   0.36586   0.37147   0.37897   0.38879
 Alpha virt. eigenvalues --    0.39783   0.39883   0.40963   0.41392   0.41540
 Alpha virt. eigenvalues --    0.42491   0.42653   0.43291   0.43677   0.44505
 Alpha virt. eigenvalues --    0.44542   0.44861   0.45680   0.45802   0.46685
 Alpha virt. eigenvalues --    0.47045   0.47163   0.48009   0.48639   0.49110
 Alpha virt. eigenvalues --    0.49512   0.50391   0.50846   0.51981   0.52376
 Alpha virt. eigenvalues --    0.52738   0.53344   0.53855   0.55230   0.56139
 Alpha virt. eigenvalues --    0.56885   0.56970   0.58500   0.59328   0.60531
 Alpha virt. eigenvalues --    0.61375   0.62886   0.62930   0.63676   0.64710
 Alpha virt. eigenvalues --    0.65425   0.66690   0.67289   0.67589   0.68486
 Alpha virt. eigenvalues --    0.68853   0.69152   0.71126   0.72313   0.73257
 Alpha virt. eigenvalues --    0.73654   0.75604   0.76327   0.76471   0.78950
 Alpha virt. eigenvalues --    0.80202   0.80574   0.81212   0.82521   0.82971
 Alpha virt. eigenvalues --    0.84178   0.84741   0.86695   0.88721   0.89851
 Alpha virt. eigenvalues --    0.96583   0.97286   0.97888   1.01455   1.02847
 Alpha virt. eigenvalues --    1.03679   1.04600   1.05624   1.06255   1.06475
 Alpha virt. eigenvalues --    1.07224   1.08981   1.10687   1.11702   1.12499
 Alpha virt. eigenvalues --    1.13739   1.14505   1.15607   1.17141   1.18755
 Alpha virt. eigenvalues --    1.19949   1.21325   1.21950   1.23546   1.24431
 Alpha virt. eigenvalues --    1.26532   1.28717   1.29465   1.29876   1.30982
 Alpha virt. eigenvalues --    1.32761   1.32867   1.34524   1.38914   1.40633
 Alpha virt. eigenvalues --    1.41249   1.44765   1.46204   1.47476   1.49747
 Alpha virt. eigenvalues --    1.51308   1.58491   1.61010   1.63267   1.64955
 Alpha virt. eigenvalues --    1.68903   1.69516   1.70416   1.72014   1.74594
 Alpha virt. eigenvalues --    1.75074   1.78006   1.80088   1.82496   1.83343
 Alpha virt. eigenvalues --    1.84493   1.88807   1.89672   1.92841   1.93988
 Alpha virt. eigenvalues --    1.95847   1.96964   1.98963   2.00394   2.01206
 Alpha virt. eigenvalues --    2.03700   2.05293   2.07273   2.07865   2.09955
 Alpha virt. eigenvalues --    2.10843   2.11528   2.13312   2.15088   2.15889
 Alpha virt. eigenvalues --    2.16978   2.17603   2.20223   2.20524   2.24752
 Alpha virt. eigenvalues --    2.25656   2.28720   2.29671   2.31163   2.34025
 Alpha virt. eigenvalues --    2.35855   2.37582   2.39982   2.42940   2.46101
 Alpha virt. eigenvalues --    2.48005   2.49549   2.50857   2.51717   2.53562
 Alpha virt. eigenvalues --    2.55170   2.56636   2.60389   2.63593   2.65164
 Alpha virt. eigenvalues --    2.67609   2.73479   2.75973   2.78763   2.84895
 Alpha virt. eigenvalues --    2.91576   2.92666   2.93832   2.95632   2.97146
 Alpha virt. eigenvalues --    2.98883   3.03500   3.06029   3.10313   3.13030
 Alpha virt. eigenvalues --    3.16280   3.19752   3.22699   3.24727   3.30465
 Alpha virt. eigenvalues --    3.31627   3.40952   3.46364   3.68595   3.79160
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.881848  -0.865722   0.270792  -0.449610   0.567358  -0.141426
     2  C   -0.865722   8.214329  -1.231855   0.107108  -0.215749   0.404074
     3  C    0.270792  -1.231855   9.874854  -0.536145   0.489415  -0.228081
     4  C   -0.449610   0.107108  -0.536145   8.291118  -0.743449   0.451374
     5  C    0.567358  -0.215749   0.489415  -0.743449   7.079766  -0.112681
     6  C   -0.141426   0.404074  -0.228081   0.451374  -0.112681   6.779749
     7  C    0.030401  -0.330698   0.136107  -0.452080   0.053137   0.038782
     8  N   -0.000425  -0.178061   0.222029  -0.012524   0.000604  -0.000705
     9  C   -0.002488  -0.054401  -0.049518   0.029249  -0.000827   0.004992
    10  H    0.006005   0.022609  -0.185524   0.001496   0.002049   0.000776
    11  H    0.019106   0.171234  -0.277742  -0.056059   0.007787  -0.002756
    12  H    0.002133   0.022433  -0.109892   0.003029  -0.000465   0.000013
    13  H   -0.001659  -0.018358   0.013820   0.018848  -0.000222   0.000514
    14  H    0.000462  -0.026701   0.019282  -0.014311   0.000129  -0.000022
    15  H    0.212531   0.100683  -0.994266  -0.050609  -0.307561  -0.066757
    16  H   -0.072557   0.144122  -0.005092  -0.223532  -0.127723  -0.410830
    17  H   -0.252474  -0.037292   0.113960  -0.048929  -0.270240   0.057880
    18  H   -0.299335  -0.313217   0.117979   0.182563  -0.083441  -0.496857
    19  H   -0.380738   0.358491  -0.965507   0.011581   0.177720  -0.039916
    20  H   -0.001400   0.026132  -0.025596   0.004831  -0.000758  -0.000150
               7          8          9         10         11         12
     1  C    0.030401  -0.000425  -0.002488   0.006005   0.019106   0.002133
     2  C   -0.330698  -0.178061  -0.054401   0.022609   0.171234   0.022433
     3  C    0.136107   0.222029  -0.049518  -0.185524  -0.277742  -0.109892
     4  C   -0.452080  -0.012524   0.029249   0.001496  -0.056059   0.003029
     5  C    0.053137   0.000604  -0.000827   0.002049   0.007787  -0.000465
     6  C    0.038782  -0.000705   0.004992   0.000776  -0.002756   0.000013
     7  C    5.917917  -0.091095   0.387351   0.263442   0.025485   0.127249
     8  N   -0.091095   7.798566  -0.012174  -0.307579  -0.142521  -0.020901
     9  C    0.387351  -0.012174   4.334746   0.001287  -0.108336   0.277427
    10  H    0.263442  -0.307579   0.001287   1.070750   0.020749   0.021640
    11  H    0.025485  -0.142521  -0.108336   0.020749   1.225932   0.012027
    12  H    0.127249  -0.020901   0.277427   0.021640   0.012027   0.890139
    13  H    0.018897   0.007251   0.282061  -0.005637  -0.023264  -0.053673
    14  H    0.120912   0.030761   0.247293  -0.014884  -0.023890  -0.094137
    15  H   -0.251146  -0.005139  -0.020211   0.001645   0.050551   0.000975
    16  H    0.007113  -0.000046   0.001306  -0.000005  -0.004388   0.000044
    17  H   -0.002643  -0.000089  -0.000398   0.000003   0.000208  -0.000037
    18  H    0.000444   0.001567  -0.000516  -0.001377  -0.000838  -0.000575
    19  H   -0.229998  -0.055666   0.004463   0.017444   0.035915   0.013779
    20  H    0.077303  -0.169551  -0.027614   0.049547   0.038648  -0.002821
              13         14         15         16         17         18
     1  C   -0.001659   0.000462   0.212531  -0.072557  -0.252474  -0.299335
     2  C   -0.018358  -0.026701   0.100683   0.144122  -0.037292  -0.313217
     3  C    0.013820   0.019282  -0.994266  -0.005092   0.113960   0.117979
     4  C    0.018848  -0.014311  -0.050609  -0.223532  -0.048929   0.182563
     5  C   -0.000222   0.000129  -0.307561  -0.127723  -0.270240  -0.083441
     6  C    0.000514  -0.000022  -0.066757  -0.410830   0.057880  -0.496857
     7  C    0.018897   0.120912  -0.251146   0.007113  -0.002643   0.000444
     8  N    0.007251   0.030761  -0.005139  -0.000046  -0.000089   0.001567
     9  C    0.282061   0.247293  -0.020211   0.001306  -0.000398  -0.000516
    10  H   -0.005637  -0.014884   0.001645  -0.000005   0.000003  -0.001377
    11  H   -0.023264  -0.023890   0.050551  -0.004388   0.000208  -0.000838
    12  H   -0.053673  -0.094137   0.000975   0.000044  -0.000037  -0.000575
    13  H    0.744760  -0.012955   0.007995  -0.000246   0.000007   0.000715
    14  H   -0.012955   0.751315  -0.003545   0.000029  -0.000004   0.000061
    15  H    0.007995  -0.003545   2.220278  -0.551088   0.056634  -0.021331
    16  H   -0.000246   0.000029  -0.551088   2.357419  -0.502921   0.063845
    17  H    0.000007  -0.000004   0.056634  -0.502921   2.008460  -0.531300
    18  H    0.000715   0.000061  -0.021331   0.063845  -0.531300   2.515139
    19  H   -0.014751  -0.008562   0.046886  -0.017739   0.048699  -0.455934
    20  H   -0.003621  -0.021452  -0.001205   0.000017   0.000005  -0.000107
              19         20
     1  C   -0.380738  -0.001400
     2  C    0.358491   0.026132
     3  C   -0.965507  -0.025596
     4  C    0.011581   0.004831
     5  C    0.177720  -0.000758
     6  C   -0.039916  -0.000150
     7  C   -0.229998   0.077303
     8  N   -0.055666  -0.169551
     9  C    0.004463  -0.027614
    10  H    0.017444   0.049547
    11  H    0.035915   0.038648
    12  H    0.013779  -0.002821
    13  H   -0.014751  -0.003621
    14  H   -0.008562  -0.021452
    15  H    0.046886  -0.001205
    16  H   -0.017739   0.000017
    17  H    0.048699   0.000005
    18  H   -0.455934  -0.000107
    19  H    2.255759   0.010133
    20  H    0.010133   0.961983
 Mulliken charges:
               1
     1  C   -0.522802
     2  C   -0.299160
     3  C   -0.649020
     4  C   -0.513949
     5  C   -0.514848
     6  C   -0.237972
     7  C    0.153121
     8  N   -0.064302
     9  C    0.706310
    10  H    0.035566
    11  H    0.032154
    12  H   -0.088388
    13  H    0.039518
    14  H    0.050218
    15  H    0.574679
    16  H    0.342271
    17  H    0.360472
    18  H    0.322514
    19  H    0.187942
    20  H    0.085675
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.200288
     2  C   -0.111218
     3  C   -0.649020
     4  C    0.060730
     5  C   -0.172577
     6  C    0.122501
     7  C    0.185275
     8  N    0.056939
     9  C    0.707658
 Electronic spatial extent (au):  <R**2>=           1289.3314
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6165    Y=              0.8051    Z=             -0.8840  Tot=              1.3453
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.3983   YY=            -50.9288   ZZ=            -60.7416
   XY=              1.3092   XZ=             -0.8957   YZ=              3.3889
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.6246   YY=              2.0941   ZZ=             -7.7187
   XY=              1.3092   XZ=             -0.8957   YZ=              3.3889
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.7732  YYY=              0.3135  ZZZ=             -3.1102  XYY=             -2.8951
  XXY=              0.3049  XXZ=              3.4372  XZZ=              4.8624  YZZ=              4.7009
  YYZ=              0.4881  XYZ=              3.7385
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1079.9908 YYYY=           -318.2204 ZZZZ=           -225.4010 XXXY=             -6.2348
 XXXZ=             23.3236 YYYX=              0.6818 YYYZ=              7.9022 ZZZX=             -1.5587
 ZZZY=             10.8256 XXYY=           -246.9149 XXZZ=           -252.9332 YYZZ=           -101.1451
 XXYZ=             11.2383 YYXZ=              0.7692 ZZXY=              8.6752
 N-N= 4.252473536436D+02 E-N=-1.696465636108D+03  KE= 3.612479572778D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:04:44 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4048    0.4028        0.2537    0.2650
 2     -0.4048   -0.4028       -1.2821   -1.2822      -12.8762  -12.8594
 3     -0.2537   -0.2650       27.5843   27.5678        1.2874    1.2822
 4      1.2821    1.2822       -0.0000    0.0000       -0.2599   -0.2650
 5    -14.7080  -14.7083        0.2599    0.2650        0.4007    0.4028
 6     -1.2874   -1.2822       -0.4007   -0.4028        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2085   -1.2085        0.7951    0.7951
 2      3.8466    3.8466       -0.0000    0.0000        0.7951    0.7951
 3      3.8466    3.8466       -1.2085   -1.2085       -0.0000    0.0000
 4     -1.2085   -1.2085       -3.8466   -3.8466      -38.5783  -38.5783
 5     -0.7951   -0.7951       82.7033   82.7033        3.8466    3.8466
 6    -44.1250  -44.1250        0.7951    0.7951        1.2085    1.2085
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1585    0.0000       -1.8798   -1.6114       -0.5719   -1.0601
 2      1.3594    1.6114        4.9965    5.1288       50.8613   51.4377
 3      0.9974    1.0601     -110.1897 -110.2710       -4.9214   -5.1288
 4     -5.1361   -5.1288       -0.1873    0.0000        0.6806    1.0601
 5     58.9916   58.8333       -1.0898   -1.0601       -1.1087   -1.6114
 6      4.8320    5.1288        1.4068    1.6114        0.0242    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1385    0.0000       -4.2690   -4.0851       -0.0785   -0.3895
 2      4.0191    4.0851       53.4711   53.3479       15.8471   15.6536
 3      1.1024    0.3895       11.4128   10.7703      -53.7417  -53.3479
 4    -53.4120  -53.3479       -0.2558    0.0000        0.2912    0.3895
 5    -26.8283  -26.4239       -0.1595   -0.3895       -4.1620   -4.0851
 6     53.3533   53.3479        4.5643    4.0851       -0.2263    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -38.4820  -38.2076       -3.5884   -4.1447       -3.0983   -2.7795
 2   -124.3744 -123.8754       -3.7107   -3.8116       -2.8497   -2.7795
 3   -124.3556 -123.8754       -4.1978   -4.1447       -0.1730    0.0383
 4     -0.4799   -0.3331       85.3948   85.6678       22.3051   22.1209
 5      2.9848    2.8178       19.4979   20.0943      -86.1655  -85.6678
 6    -42.6003  -42.2152       -2.2666   -2.8178       -0.4544    0.3331
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      3.9864                 4.3122                 0.3707
  Dep-P Fr= 1--      0.7496                 0.7499                 0.4328
  Dep-U Fr= 1--      0.8569                 0.8571                 0.6041
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0024
 Beta2  Fr= 1--      0.5693                 0.6160                 0.0373
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0113
 Gamma2 Fr= 1--      0.3329                 0.1524                 0.0242
 Delta2 Fr= 1--      0.2366                 0.0461                 0.0275
 Raman1 Fr= 1--      15.945                 17.249                  1.483
 ROA1   Fr= 1--      39.530                 16.101                  3.202
 CID1   Fr= 1--       2.479                  0.933                  2.159
 Raman2 Fr= 1--       6.831                  7.392                  0.448
 ROA2   Fr= 1--       6.098                  3.288                  0.361
 CID2   Fr= 1--       0.893                  0.445                  0.805
 Raman3 Fr= 1--      13.663                 14.784                  0.896
 ROA3   Fr= 1--      39.530                 16.101                  3.202
 CID3   Fr= 1--       2.893                  1.089                  3.574
 RC180  Fr= 1--       0.714                  0.714                  0.208
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.1563                 0.2085                 1.9918
  Dep-P Fr= 1--      0.4114                 0.3170                 0.3435
  Dep-U Fr= 1--      0.5829                 0.4814                 0.5114
 Alpha2 Fr= 1--      0.0011                 0.0020                 0.0179
 Beta2  Fr= 1--      0.0152                 0.0167                 0.1698
 AlphaG Fr= 1--     -0.0059                -0.0011                -0.0077
 Gamma2 Fr= 1--     -0.0411                -0.0229                -0.2625
 Delta2 Fr= 1--      0.0069                 0.0670                 0.0275
 Raman1 Fr= 1--       0.625                  0.834                  7.967
 ROA1   Fr= 1--      -3.722                 -0.058                -24.320
 CID1   Fr= 1--      -5.953                 -0.069                 -3.053
 Raman2 Fr= 1--       0.182                  0.201                  2.037
 ROA2   Fr= 1--      -1.041                 -1.086                 -6.520
 CID2   Fr= 1--      -5.714                 -5.412                 -3.201
 Raman3 Fr= 1--       0.365                  0.402                  4.074
 ROA3   Fr= 1--      -3.722                 -0.058                -24.320
 CID3   Fr= 1--     -10.212                 -0.144                 -5.969
 RC180  Fr= 1--       0.166                 -0.037                  0.023
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.2007                 0.0240                 5.3806
  Dep-P Fr= 1--      0.4947                 0.3240                 0.0522
  Dep-U Fr= 1--      0.6620                 0.4894                 0.0993
 Alpha2 Fr= 1--      0.0010                 0.0002                 0.1057
 Beta2  Fr= 1--      0.0221                 0.0020                 0.0890
 AlphaG Fr= 1--      0.0034                 0.0036                 0.0347
 Gamma2 Fr= 1--      0.0734                 0.1493                 0.0804
 Delta2 Fr= 1--     -0.0481                 0.0114                 0.1244
 Raman1 Fr= 1--       0.803                  0.096                 21.523
 ROA1   Fr= 1--       5.510                 14.699                 11.695
 CID1   Fr= 1--       6.863                153.396                  0.543
 Raman2 Fr= 1--       0.266                  0.023                  1.068
 ROA2   Fr= 1--       2.147                  3.492                  0.934
 CID2   Fr= 1--       8.079                148.936                  0.874
 Raman3 Fr= 1--       0.531                  0.047                  2.137
 ROA3   Fr= 1--       5.510                 14.699                 11.695
 CID3   Fr= 1--      10.368                313.408                  5.473
 RC180  Fr= 1--       0.324                 -0.021                 -0.801
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.4696                 1.7975                 4.2672
  Dep-P Fr= 1--      0.6572                 0.7397                 0.7315
  Dep-U Fr= 1--      0.7931                 0.8504                 0.8450
 Alpha2 Fr= 1--      0.0008                 0.0003                 0.0013
 Beta2  Fr= 1--      0.0621                 0.2548                 0.6009
 AlphaG Fr= 1--      0.0004                -0.0006                 0.0008
 Gamma2 Fr= 1--     -0.2082                 0.2889                 0.0343
 Delta2 Fr= 1--     -0.0951                 0.0439                -0.0030
 Raman1 Fr= 1--       1.878                  7.190                 17.069
 ROA1   Fr= 1--     -23.032                 29.136                  3.195
 CID1   Fr= 1--     -12.262                  4.052                  0.187
 Raman2 Fr= 1--       0.745                  3.057                  7.211
 ROA2   Fr= 1--      -4.236                  6.582                  0.847
 CID2   Fr= 1--      -5.687                  2.153                  0.117
 Raman3 Fr= 1--       1.490                  6.114                 14.422
 ROA3   Fr= 1--     -23.032                 29.136                  3.195
 CID3   Fr= 1--     -15.460                  4.765                  0.222
 RC180  Fr= 1--       0.586                  0.701                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0402                14.1829                 1.4904
  Dep-P Fr= 1--      0.6672                 0.0180                 0.1251
  Dep-U Fr= 1--      0.8004                 0.0354                 0.2224
 Alpha2 Fr= 1--      0.0001                 0.3022                 0.0245
 Beta2  Fr= 1--      0.0054                 0.0836                 0.0553
 AlphaG Fr= 1--      0.0001                 0.0397                -0.0159
 Gamma2 Fr= 1--     -0.0492                -0.5550                -0.0234
 Delta2 Fr= 1--     -0.0381                -0.2674                -0.0614
 Raman1 Fr= 1--       0.161                 56.731                  5.962
 ROA1   Fr= 1--      -5.946                -61.840                 -4.207
 CID1   Fr= 1--     -36.953                 -1.090                 -0.706
 Raman2 Fr= 1--       0.064                  1.003                  0.663
 ROA2   Fr= 1--      -0.876                -11.181                 -0.070
 CID2   Fr= 1--     -13.609                -11.149                 -0.105
 Raman3 Fr= 1--       0.129                  2.006                  1.326
 ROA3   Fr= 1--      -5.946                -61.840                 -4.207
 CID3   Fr= 1--     -46.171                -30.831                 -3.173
 RC180  Fr= 1--       0.601                 -0.929                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      0.9780                 0.6015                 4.0638
  Dep-P Fr= 1--      0.5975                 0.7080                 0.6669
  Dep-U Fr= 1--      0.7480                 0.8291                 0.8002
 Alpha2 Fr= 1--      0.0028                 0.0004                 0.0060
 Beta2  Fr= 1--      0.1219                 0.0831                 0.5420
 AlphaG Fr= 1--      0.0020                -0.0004                 0.0145
 Gamma2 Fr= 1--     -0.5260                 0.0811                 1.9662
 Delta2 Fr= 1--     -0.4647                -0.0356                 1.1171
 Raman1 Fr= 1--       3.912                  2.406                 16.255
 ROA1   Fr= 1--     -65.365                  6.651                224.506
 CID1   Fr= 1--     -16.708                  2.764                 13.811
 Raman2 Fr= 1--       1.463                  0.997                  6.503
 ROA2   Fr= 1--      -8.906                  2.232                 38.253
 CID2   Fr= 1--      -6.087                  2.238                  5.882
 Raman3 Fr= 1--       2.926                  1.995                 13.007
 ROA3   Fr= 1--     -65.365                  6.651                224.506
 CID3   Fr= 1--     -22.337                  3.334                 17.261
 RC180  Fr= 1--       0.496                  0.658                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      0.8437                 0.0845                 0.0455
  Dep-P Fr= 1--      0.7491                 0.0625                 0.6014
  Dep-U Fr= 1--      0.8566                 0.1176                 0.7511
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0001
 Beta2  Fr= 1--      0.1204                 0.0017                 0.0057
 AlphaG Fr= 1--      0.0001                -0.0118                 0.0017
 Gamma2 Fr= 1--     -0.2452                -0.2261                -0.0177
 Delta2 Fr= 1--      0.1456                 0.1123                 0.0312
 Raman1 Fr= 1--       3.375                  0.338                  0.182
 ROA1   Fr= 1--     -18.882                -18.114                 -0.699
 CID1   Fr= 1--      -5.595                -53.575                 -3.839
 Raman2 Fr= 1--       1.445                  0.020                  0.068
 ROA2   Fr= 1--      -7.049                 -6.325                 -0.673
 CID2   Fr= 1--      -4.877               -318.203                 -9.850
 Raman3 Fr= 1--       2.891                  0.040                  0.137
 ROA3   Fr= 1--     -18.882                -18.114                 -0.699
 CID3   Fr= 1--      -6.532               -455.623                 -5.112
 RC180  Fr= 1--       0.713                 -0.765                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     12.4132                38.3624                19.8250
  Dep-P Fr= 1--      0.1493                 0.0500                 0.0482
  Dep-U Fr= 1--      0.2599                 0.0952                 0.0919
 Alpha2 Fr= 1--      0.1922                 0.7578                 0.3933
 Beta2  Fr= 1--      0.5376                 0.6085                 0.3036
 AlphaG Fr= 1--     -0.0691                 0.0233                 0.0345
 Gamma2 Fr= 1--      1.3780                -0.4244                 0.0329
 Delta2 Fr= 1--      0.9897                -0.1690                -0.1766
 Raman1 Fr= 1--      49.653                153.449                 79.300
 ROA1   Fr= 1--     163.955                -46.152                 -2.488
 CID1   Fr= 1--       3.302                 -0.301                 -0.031
 Raman2 Fr= 1--       6.451                  7.302                  3.643
 ROA2   Fr= 1--      25.153                 -8.835                  2.203
 CID2   Fr= 1--       3.899                 -1.210                  0.605
 Raman3 Fr= 1--      12.903                 14.605                  7.286
 ROA3   Fr= 1--     163.955                -46.152                 -2.488
 CID3   Fr= 1--      12.707                 -3.160                 -0.342
 RC180  Fr= 1--      -0.480                 -0.810                 -0.816
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      5.2945                 2.4742                 1.6545
  Dep-P Fr= 1--      0.5413                 0.4030                 0.4796
  Dep-U Fr= 1--      0.7024                 0.5745                 0.6483
 Alpha2 Fr= 1--      0.0212                 0.0181                 0.0090
 Beta2  Fr= 1--      0.6198                 0.2369                 0.1788
 AlphaG Fr= 1--      0.0755                 0.0451                 0.0101
 Gamma2 Fr= 1--     -0.2333                 0.9900                 0.4003
 Delta2 Fr= 1--     -1.7422                -0.0895                 0.2598
 Raman1 Fr= 1--      21.178                  9.897                  6.618
 ROA1   Fr= 1--     -78.148                 92.175                 46.744
 CID1   Fr= 1--      -3.690                  9.314                  7.063
 Raman2 Fr= 1--       7.437                  2.843                  2.145
 ROA2   Fr= 1--       8.337                 24.476                  7.530
 CID2   Fr= 1--       1.121                  8.610                  3.510
 Raman3 Fr= 1--      14.875                  5.686                  4.290
 ROA3   Fr= 1--     -78.148                 92.175                 46.744
 CID3   Fr= 1--      -5.254                 16.212                 10.896
 RC180  Fr= 1--       0.405                  0.149                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.6262                 2.9239                 6.3093
  Dep-P Fr= 1--      0.7306                 0.3647                 0.6837
  Dep-U Fr= 1--      0.8443                 0.5344                 0.8121
 Alpha2 Fr= 1--      0.0012                 0.0245                 0.0074
 Beta2  Fr= 1--      0.5103                 0.2604                 0.8540
 AlphaG Fr= 1--     -0.0002                -0.0056                 0.0019
 Gamma2 Fr= 1--      0.2658                -1.4173                 0.0887
 Delta2 Fr= 1--     -0.1114                 0.5211                 0.0329
 Raman1 Fr= 1--      14.505                 11.695                 25.237
 ROA1   Fr= 1--      21.950               -119.390                  9.567
 CID1   Fr= 1--       1.513                -10.208                  0.379
 Raman2 Fr= 1--       6.123                  3.125                 10.248
 ROA2   Fr= 1--       7.270                -38.185                  1.865
 CID2   Fr= 1--       1.187                -12.218                  0.182
 Raman3 Fr= 1--      12.246                  6.251                 20.496
 ROA3   Fr= 1--      21.950               -119.390                  9.567
 CID3   Fr= 1--       1.792                -19.101                  0.467
 RC180  Fr= 1--       0.689                  0.069                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     21.3756                 0.8483                 1.1714
  Dep-P Fr= 1--      0.0620                 0.1288                 0.5969
  Dep-U Fr= 1--      0.1168                 0.2282                 0.7476
 Alpha2 Fr= 1--      0.4103                 0.0138                 0.0033
 Beta2  Fr= 1--      0.4162                 0.0323                 0.1460
 AlphaG Fr= 1--     -0.0516                -0.0072                 0.0029
 Gamma2 Fr= 1--     -0.6517                 0.3344                 0.8547
 Delta2 Fr= 1--     -0.1368                 0.1879                -0.4503
 Raman1 Fr= 1--      85.502                  3.393                  4.686
 ROA1   Fr= 1--     -66.937                 38.112                 67.637
 CID1   Fr= 1--      -0.783                 11.232                 14.435
 Raman2 Fr= 1--       4.995                  0.387                  1.751
 ROA2   Fr= 1--     -14.545                  6.521                 24.114
 CID2   Fr= 1--      -2.912                 16.845                 13.768
 Raman3 Fr= 1--       9.989                  0.774                  3.503
 ROA3   Fr= 1--     -66.937                 38.112                 67.637
 CID3   Fr= 1--      -6.701                 49.225                 19.309
 RC180  Fr= 1--      -0.766                 -0.544                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      4.7579                 0.2939                 3.0100
  Dep-P Fr= 1--      0.6723                 0.7275                 0.5609
  Dep-U Fr= 1--      0.8041                 0.8422                 0.7187
 Alpha2 Fr= 1--      0.0065                 0.0001                 0.0108
 Beta2  Fr= 1--      0.6376                 0.0412                 0.3606
 AlphaG Fr= 1--     -0.0009                -0.0014                 0.0318
 Gamma2 Fr= 1--     -2.3534                -0.0408                 0.8449
 Delta2 Fr= 1--      0.1630                 0.0428                -0.0859
 Raman1 Fr= 1--      19.032                  1.175                 12.040
 ROA1   Fr= 1--    -220.708                 -2.550                 78.356
 CID1   Fr= 1--     -11.597                 -2.169                  6.508
 Raman2 Fr= 1--       7.651                  0.495                  4.327
 ROA2   Fr= 1--     -57.785                 -1.323                 20.964
 CID2   Fr= 1--      -7.552                 -2.672                  4.845
 Raman3 Fr= 1--      15.303                  0.990                  8.654
 ROA3   Fr= 1--    -220.708                 -2.550                 78.356
 CID3   Fr= 1--     -14.423                 -2.576                  9.055
 RC180  Fr= 1--       0.608                  0.684                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      2.2736                 5.4607                 4.3607
  Dep-P Fr= 1--      0.7437                 0.7499                 0.5226
  Dep-U Fr= 1--      0.8530                 0.8571                 0.6864
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0193
 Beta2  Fr= 1--      0.3232                 0.7801                 0.4989
 AlphaG Fr= 1--     -0.0072                 0.0002                -0.0534
 Gamma2 Fr= 1--     -1.8378                 2.1870                -3.4862
 Delta2 Fr= 1--      0.2086                -1.8522                 1.3633
 Raman1 Fr= 1--       9.094                 21.843                 17.443
 ROA1   Fr= 1--    -169.751                150.685               -291.053
 CID1   Fr= 1--     -18.666                  6.899                -16.686
 Raman2 Fr= 1--       3.879                  9.361                  5.986
 ROA2   Fr= 1--     -45.775                 67.306                -94.576
 CID2   Fr= 1--     -11.801                  7.190                -15.798
 Raman3 Fr= 1--       7.758                 18.721                 11.973
 ROA3   Fr= 1--    -169.751                150.685               -291.053
 CID3   Fr= 1--     -21.882                  8.049                -24.309
 RC180  Fr= 1--       0.706                  0.714                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.0997                 8.2086                16.8959
  Dep-P Fr= 1--      0.6772                 0.7492                 0.7165
  Dep-U Fr= 1--      0.8075                 0.8566                 0.8348
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0098
 Beta2  Fr= 1--      0.0134                 1.1719                 2.3509
 AlphaG Fr= 1--      0.0004                 0.0010                -0.0154
 Gamma2 Fr= 1--      0.2618                 0.1164                -0.9916
 Delta2 Fr= 1--     -0.0513                 0.0310                 0.9971
 Raman1 Fr= 1--       0.399                 32.835                 67.584
 ROA1   Fr= 1--      23.492                 12.166                -63.286
 CID1   Fr= 1--      58.929                  0.371                 -0.936
 Raman2 Fr= 1--       0.161                 14.063                 28.210
 ROA2   Fr= 1--       6.693                  2.546                -31.775
 CID2   Fr= 1--      41.582                  0.181                 -1.126
 Raman3 Fr= 1--       0.322                 28.127                 56.421
 ROA3   Fr= 1--      23.492                 12.166                -63.286
 CID3   Fr= 1--      72.974                  0.433                 -1.122
 RC180  Fr= 1--       0.615                  0.713                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     13.1047               165.9034               106.0855
  Dep-P Fr= 1--      0.5562                 0.0425                 0.1497
  Dep-U Fr= 1--      0.7148                 0.0816                 0.2603
 Alpha2 Fr= 1--      0.0484                 3.3358                 1.6414
 Beta2  Fr= 1--      1.5612                 2.2561                 4.6032
 AlphaG Fr= 1--      0.0684                -0.0553                -0.3034
 Gamma2 Fr= 1--      2.5680                 0.8721                 2.5598
 Delta2 Fr= 1--     -0.4002                -1.3792                 1.3579
 Raman1 Fr= 1--      52.419                663.614                424.342
 ROA1   Fr= 1--     233.725                 39.585                289.189
 CID1   Fr= 1--       4.459                  0.060                  0.681
 Raman2 Fr= 1--      18.734                 27.074                 55.238
 ROA2   Fr= 1--      64.834                 31.964                 50.571
 CID2   Fr= 1--       3.461                  1.181                  0.916
 Raman3 Fr= 1--      37.468                 54.147                110.476
 ROA3   Fr= 1--     233.725                 39.585                289.189
 CID3   Fr= 1--       6.238                  0.731                  2.618
 RC180  Fr= 1--       0.430                 -0.837                 -0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--     98.4049                37.8959                20.8516
  Dep-P Fr= 1--      0.6990                 0.5898                 0.4266
  Dep-U Fr= 1--      0.8229                 0.7420                 0.5981
 Alpha2 Fr= 1--      0.0874                 0.1132                 0.1401
 Beta2  Fr= 1--     13.4957                 4.6863                 2.0785
 AlphaG Fr= 1--      0.0019                 0.0153                -0.0077
 Gamma2 Fr= 1--     -2.4580                 3.0058                -0.2640
 Delta2 Fr= 1--      1.7686                 1.6064                -0.2101
 Raman1 Fr= 1--     393.619                151.584                 83.406
 ROA1   Fr= 1--    -179.373                339.960                -32.071
 CID1   Fr= 1--      -0.456                  2.243                 -0.385
 Raman2 Fr= 1--     161.948                 56.236                 24.942
 ROA2   Fr= 1--     -73.141                 59.288                 -4.656
 CID2   Fr= 1--      -0.452                  1.054                 -0.187
 Raman3 Fr= 1--     323.896                112.471                 49.883
 ROA3   Fr= 1--    -179.373                339.960                -32.071
 CID3   Fr= 1--      -0.554                  3.023                 -0.643
 RC180  Fr= 1--       0.646                  0.484                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     88.5899               124.6958                30.9063
  Dep-P Fr= 1--      0.7411                 0.4904                 0.7493
  Dep-U Fr= 1--      0.8513                 0.6580                 0.8567
 Alpha2 Fr= 1--      0.0134                 0.6437                 0.0004
 Beta2  Fr= 1--     12.5695                13.6758                 4.4129
 AlphaG Fr= 1--     -0.0021                 0.0029                -0.0005
 Gamma2 Fr= 1--     -2.0273                -1.2509                 0.5276
 Delta2 Fr= 1--     -0.3451                -0.6435                -0.8213
 Raman1 Fr= 1--     354.360                498.783                123.625
 ROA1   Fr= 1--    -205.668               -140.680                 24.366
 CID1   Fr= 1--      -0.580                 -0.282                  0.197
 Raman2 Fr= 1--     150.834                164.110                 52.955
 ROA2   Fr= 1--     -45.895                -24.873                 19.233
 CID2   Fr= 1--      -0.304                 -0.152                  0.363
 Raman3 Fr= 1--     301.668                328.219                105.909
 ROA3   Fr= 1--    -205.668               -140.680                 24.366
 CID3   Fr= 1--      -0.682                 -0.429                  0.230
 RC180  Fr= 1--       0.703                  0.316                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    328.0192               156.5280                59.3927
  Dep-P Fr= 1--      0.0923                 0.1336                 0.6567
  Dep-U Fr= 1--      0.1690                 0.2357                 0.7928
 Alpha2 Fr= 1--      5.8524                 2.5219                 0.0991
 Beta2  Fr= 1--      9.2374                 6.1488                 7.8479
 AlphaG Fr= 1--      0.0038                -0.3741                 0.2169
 Gamma2 Fr= 1--      0.8275                -2.3828                 3.1358
 Delta2 Fr= 1--      0.0279                -5.1194                 2.5485
 Raman1 Fr= 1--    1312.077                626.112                237.571
 ROA1   Fr= 1--      80.330               -392.575                382.592
 CID1   Fr= 1--       0.061                 -0.627                  1.610
 Raman2 Fr= 1--     110.849                 73.786                 94.174
 ROA2   Fr= 1--      19.637                -16.233                 54.872
 CID2   Fr= 1--       0.177                 -0.220                  0.583
 Raman3 Fr= 1--     221.698                147.572                188.349
 ROA3   Fr= 1--      80.330               -392.575                382.592
 CID3   Fr= 1--       0.362                 -2.660                  2.031
 RC180  Fr= 1--      -0.662                 -0.529                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131597D+03  0.530071D+00 -0.805692D+00
      2   0.530071D+00  0.105878D+03  0.256438D+01
      3  -0.805692D+00  0.256438D+01  0.764610D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.880763D+00 -0.263187D+01 -0.794644D+00
      2   0.302138D+01 -0.694604D+01  0.185102D+02
      3  -0.329050D+01  0.348377D+02  0.626590D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.642368D+02 -0.181351D+00  0.530893D+01
      2   0.130146D+02  0.417428D+01  0.527066D+01
      3   0.512222D+02 -0.399293D+01 -0.105796D+02
      4   0.694249D+01 -0.733190D+02 -0.167416D+02
      5  -0.959267D+01 -0.164038D+02  0.505564D+02
      6  -0.601890D+01 -0.681314D+01  0.279782D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311632D+01 -0.520649D+00 -0.175271D+00  0.462277D+01 -0.156772D-01
      2  -0.520649D+00 -0.140936D+01  0.378098D-01 -0.156772D-01  0.935197D+00
      3  -0.175271D+00  0.378098D-01 -0.958372D+00  0.171316D+00 -0.479089D+00
                 6             7             8             9            10 
      1   0.171316D+00  0.535138D+00  0.229832D+00 -0.184182D+01 -0.260008D+01
      2  -0.479089D+00  0.229832D+00 -0.737191D+00  0.375261D+01 -0.875656D+00
      3   0.209320D+01 -0.184182D+01  0.375261D+01  0.121714D+01  0.133017D+00
                11            12            13            14            15 
      1  -0.875656D+00  0.133017D+00  0.719598D+01  0.118662D+00 -0.244645D+00
      2   0.289544D+01  0.165508D+00  0.118662D+00  0.105277D+01 -0.325577D+00
      3   0.165508D+00  0.159955D+01 -0.244645D+00 -0.325577D+00  0.153847D+01
                16            17            18            19            20 
      1   0.902285D+00 -0.109380D+00  0.172925D+01  0.146724D+02 -0.116508D+01
      2  -0.109380D+00 -0.449547D+00  0.303321D+01 -0.116508D+01  0.256066D+01
      3   0.172925D+01  0.303321D+01  0.529652D+00 -0.114752D+00  0.185588D+00
                21            22            23            24            25 
      1  -0.114752D+00 -0.281925D+01 -0.142080D+01 -0.720133D+00 -0.830362D+00
      2   0.185588D+00 -0.142080D+01 -0.876359D+00 -0.142449D+00 -0.615174D+00
      3   0.164852D+01 -0.720133D+00 -0.142449D+00  0.272860D+00  0.389428D+01
                26            27            28            29            30 
      1  -0.615174D+00  0.389428D+01 -0.403934D+01  0.227297D+01  0.219002D+00
      2  -0.257606D+00 -0.170280D+00  0.227297D+01  0.213622D+01  0.459653D-01
      3  -0.170280D+00  0.200879D+00  0.219002D+00  0.459653D-01  0.113338D+01
                31            32            33            34            35 
      1  -0.571705D+01  0.413229D-01  0.466009D-01 -0.575777D+00 -0.142981D+00
      2   0.413229D-01 -0.114242D+01  0.312380D+00 -0.142981D+00  0.673395D+00
      3   0.466009D-01  0.312380D+00 -0.208863D+01  0.101836D+01 -0.387895D+01
                36            37            38            39            40 
      1   0.101836D+01  0.152475D+01 -0.381493D+00 -0.160069D-01 -0.477548D+01
      2  -0.387895D+01 -0.381493D+00 -0.276370D+01 -0.275429D+00  0.909414D+00
      3  -0.128179D+01 -0.160069D-01 -0.275429D+00 -0.142864D+01  0.341607D+00
                41            42            43            44            45 
      1   0.909414D+00  0.341607D+00 -0.662566D+00  0.379580D+00 -0.289011D+01
      2  -0.260113D+00  0.556161D+00  0.379580D+00  0.643434D+00 -0.311345D+01
      3   0.556161D+00 -0.174171D+01 -0.289011D+01 -0.311345D+01 -0.626875D+00
                46            47            48            49            50 
      1  -0.465752D+01  0.458402D-01  0.333522D-02  0.630982D+00  0.576128D+00
      2   0.458402D-01 -0.314970D+01 -0.913529D-01  0.576128D+00 -0.348585D+00
      3   0.333522D-02 -0.913529D-01 -0.250104D+01  0.704736D+00 -0.218901D+00
                51            52            53            54            55 
      1   0.704736D+00  0.128336D+00  0.610793D+00 -0.516972D+01 -0.158653D+01
      2  -0.218901D+00  0.610793D+00 -0.430966D-01  0.570489D+00 -0.597662D+00
      3   0.384164D+00 -0.516972D+01  0.570489D+00  0.191050D+00  0.375450D+00
                56            57            58            59            60 
      1  -0.597662D+00  0.375450D+00 -0.185353D+01 -0.151881D+01  0.134792D+01
      2  -0.707879D+00  0.104385D+01 -0.151881D+01  0.588934D+01  0.259707D+01
      3   0.104385D+01 -0.334627D+01  0.134792D+01  0.259707D+01 -0.245508D+01
                61            62            63            64            65 
      1  -0.285567D+00  0.925781D+00 -0.554707D+01 -0.765515D+01  0.230407D-01
      2   0.925781D+00  0.222249D+01 -0.721508D+00  0.230407D-01  0.775674D+00
      3  -0.554707D+01 -0.721508D+00  0.331242D+00 -0.101026D+00 -0.455647D+00
                66            67            68            69            70 
      1  -0.101026D+00 -0.182084D-01  0.118761D+01 -0.891504D+00  0.312161D+01
      2  -0.455647D+00  0.118761D+01 -0.383547D+01 -0.113551D+01 -0.654447D+00
      3   0.117011D+01 -0.891504D+00 -0.113551D+01 -0.586226D+00  0.336216D+01
                71            72            73            74            75 
      1  -0.654447D+00  0.336216D+01 -0.874173D+01  0.193637D+01  0.263645D+00
      2  -0.172208D+01 -0.991506D+00  0.193637D+01  0.826465D+00 -0.725258D+00
      3  -0.991506D+00  0.446528D+01  0.263645D+00 -0.725258D+00  0.427730D+01
                76            77            78            79            80 
      1   0.423657D+01  0.929968D+00 -0.121505D+01 -0.214605D+01 -0.101121D+01
      2   0.929968D+00 -0.491113D+01 -0.161284D+01 -0.101121D+01 -0.143436D+01
      3  -0.121505D+01 -0.161284D+01  0.322214D+01  0.403511D+01  0.197199D+01
                81            82            83            84            85 
      1   0.403511D+01 -0.521553D+00  0.615749D+00  0.651375D-01  0.178811D+01
      2   0.197199D+01  0.615749D+00 -0.859183D+00 -0.151486D+00 -0.786355D-01
      3   0.332876D+01  0.651375D-01 -0.151486D+00 -0.815852D+00  0.363893D+00
                86            87            88            89            90 
      1  -0.786355D-01  0.363893D+00  0.442652D+00  0.181285D+00  0.111469D+00
      2   0.390100D+01  0.238876D+01  0.181285D+00  0.209229D+01  0.103286D+01
      3   0.238876D+01  0.209311D+01  0.111469D+00  0.103286D+01  0.202697D+01
                91            92            93            94            95 
      1   0.903762D-01 -0.137704D+01 -0.410421D+00 -0.229226D+01  0.177699D+01
      2  -0.137704D+01  0.121092D+01  0.134104D+00  0.177699D+01 -0.711925D+01
      3  -0.410421D+00  0.134104D+00  0.836704D+00  0.598395D-01 -0.126537D+01
                96            97            98            99           100 
      1   0.598395D-01 -0.489823D+00  0.157567D+00  0.946103D+00  0.352727D+00
      2  -0.126537D+01  0.157567D+00 -0.129341D+01 -0.123887D+01  0.772938D+00
      3  -0.141566D+01  0.946103D+00 -0.123887D+01 -0.818657D+00  0.234466D+00
               101           102           103           104           105 
      1   0.772938D+00  0.234466D+00  0.186376D+01  0.703988D+00 -0.329805D+00
      2  -0.394869D-01  0.137702D+00  0.703988D+00  0.687441D+01 -0.245164D+00
      3   0.137702D+00 -0.649098D+00 -0.329805D+00 -0.245164D+00  0.133804D+01
               106           107           108           109           110 
      1   0.854752D+00  0.187565D+00 -0.461794D+00 -0.179984D+00 -0.376308D+00
      2   0.187565D+00  0.670428D+00  0.732324D+00 -0.376308D+00 -0.463621D+00
      3  -0.461794D+00  0.732324D+00 -0.186231D+00 -0.118621D+01  0.203258D-01
               111           112           113           114           115 
      1  -0.118621D+01 -0.849096D+00 -0.199174D+00  0.137267D+00 -0.141811D+01
      2   0.203258D-01 -0.199174D+00 -0.100589D+00 -0.106974D+01 -0.947354D-01
      3  -0.251808D+01  0.137267D+00 -0.106974D+01 -0.153263D+01 -0.566842D+00
               116           117           118           119           120 
      1  -0.947354D-01 -0.566842D+00  0.128316D+02 -0.749963D+00 -0.194900D+01
      2  -0.100362D+01 -0.451002D+00 -0.749963D+00  0.104125D+01  0.230307D-02
      3  -0.451002D+00 -0.923970D+01 -0.194900D+01  0.230307D-02  0.134809D+01
               121           122           123           124           125 
      1  -0.218729D+01  0.129436D+01  0.523739D+00 -0.316005D+00  0.193847D+00
      2   0.129436D+01 -0.119320D+00 -0.690711D-01  0.193847D+00  0.210728D+00
      3   0.523739D+00 -0.690711D-01 -0.849368D+00  0.116663D+01 -0.334368D+00
               126           127           128           129           130 
      1   0.116663D+01  0.159082D+01 -0.183953D+01 -0.166823D+00 -0.156132D+01
      2  -0.334368D+00 -0.183953D+01  0.214436D+01  0.194324D+00  0.202382D+01
      3  -0.822808D+00 -0.166823D+00  0.194324D+00  0.217482D+00  0.187557D+00
               131           132           133           134           135 
      1   0.202382D+01  0.187557D+00 -0.912745D-01  0.212461D+00  0.428114D-02
      2  -0.906236D+01 -0.676042D+00  0.212461D+00 -0.720430D+00 -0.298124D+00
      3  -0.676042D+00 -0.988443D+00  0.428114D-02 -0.298124D+00 -0.935458D-01
               136           137           138           139           140 
      1  -0.511712D+01 -0.395145D+01 -0.346699D+00 -0.376282D+01 -0.447501D+01
      2  -0.395145D+01 -0.360866D+01 -0.251144D+00 -0.447501D+01 -0.667747D+01
      3  -0.346699D+00 -0.251144D+00 -0.653132D+00 -0.422691D+00 -0.545566D+00
               141           142           143           144           145 
      1  -0.422691D+00 -0.322262D+00 -0.441427D+00 -0.222662D+00 -0.131374D+02
      2  -0.545566D+00 -0.441427D+00 -0.688234D+00 -0.264252D+00  0.147369D+01
      3  -0.869046D+00 -0.222662D+00 -0.264252D+00 -0.918409D-01  0.232415D+00
               146           147           148           149           150 
      1   0.147369D+01  0.232415D+00  0.141060D+01 -0.176454D+01 -0.180520D+00
      2  -0.955829D+00 -0.733267D-02 -0.176454D+01  0.545168D+00  0.471067D-01
      3  -0.733267D-02 -0.101645D+01 -0.180520D+00  0.471067D-01  0.159484D+00
               151           152           153           154           155 
      1   0.134326D+00 -0.185393D+00 -0.116225D+00 -0.226186D+01  0.264473D+01
      2  -0.185393D+00  0.473992D-01  0.564792D-01  0.264473D+01 -0.278679D+01
      3  -0.116225D+00  0.564792D-01 -0.444234D-01  0.286416D+00 -0.281864D+00
               156           157           158           159           160 
      1   0.286416D+00  0.227427D+01 -0.380448D+01 -0.389339D+00  0.271501D+00
      2  -0.281864D+00 -0.380448D+01  0.981194D+01  0.903296D+00 -0.399276D+00
      3  -0.379820D+00 -0.389339D+00  0.903296D+00  0.103054D+01 -0.137580D+00
               161           162           163           164           165 
      1  -0.399276D+00 -0.137580D+00  0.373039D+01  0.241617D+01  0.384068D-01
      2   0.944709D+00  0.333823D+00  0.241617D+01  0.238167D+01  0.146415D+00
      3   0.333823D+00  0.217373D+00  0.384068D-01  0.146415D+00  0.465645D+00
               166           167           168           169           170 
      1   0.265701D+01  0.286618D+01  0.296361D+00 -0.300553D-01  0.264398D+00
      2   0.286618D+01  0.575641D+01  0.456646D+00  0.264398D+00  0.585004D+00
      3   0.296361D+00  0.456646D+00  0.831150D+00  0.124624D-01  0.168125D+00
               171           172           173           174           175 
      1   0.124624D-01  0.125888D+02 -0.366648D+00  0.261492D+01 -0.843755D+00
      2   0.168125D+00 -0.366648D+00  0.771551D+00  0.125624D+00  0.848672D+00
      3   0.528650D-01  0.261492D+01  0.125624D+00  0.156995D+01  0.212856D+00
               176           177           178           179           180 
      1   0.848672D+00  0.212856D+00  0.777242D+00  0.310917D+00  0.673719D+00
      2  -0.313177D+00  0.523883D+00  0.310917D+00  0.259698D+00 -0.189599D+00
      3   0.523883D+00 -0.436351D+00  0.673719D+00 -0.189599D+00  0.644652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146086D+00 -0.157063D+00  0.184613D+01 -0.541007D+00  0.607867D-01
      2   0.303225D+00  0.121190D+01  0.788103D+00  0.481065D+00  0.132200D+01
      3  -0.293258D+01 -0.133116D+02 -0.125203D+01  0.402451D+01 -0.397210D-01
                 6             7             8             9            10 
      1  -0.275128D+01  0.461300D+01  0.829496D+00 -0.353025D+00 -0.740743D+00
      2  -0.468668D+01 -0.795801D+01 -0.851245D+01 -0.187716D+01 -0.299548D+00
      3  -0.760979D+00  0.804389D+00 -0.142009D+01  0.468809D+01  0.553959D-01
                11            12            13            14            15 
      1   0.131593D+00 -0.247773D+01  0.647595D+00 -0.253205D+00 -0.206498D+01
      2   0.307275D+00 -0.144133D+01  0.117057D+01 -0.347405D+00 -0.169978D+01
      3  -0.640101D+00  0.108475D+00  0.166688D+01  0.504553D+01 -0.286179D+00
                16            17            18            19            20 
      1  -0.657167D+01  0.388847D+01  0.620320D-01  0.269267D+00  0.308528D-01
      2  -0.129931D+02 -0.728136D+00 -0.378433D+00  0.575949D+00 -0.473649D+00
      3  -0.186167D+01  0.217338D-01  0.618069D+01 -0.323722D+01  0.564133D+01
                21            22            23            24            25 
      1  -0.201772D+00  0.320080D+00 -0.988363D+00  0.162858D+01  0.841361D+00
      2  -0.224141D+01 -0.639939D+00 -0.588894D+00  0.116600D+01 -0.141208D+02
      3   0.615484D+00  0.145960D+02 -0.515735D+00  0.851376D+00  0.100493D+01
                26            27            28            29            30 
      1   0.912212D+01  0.116541D+01 -0.228550D+00 -0.242356D+00  0.148584D+01
      2   0.143507D+00 -0.351551D+00 -0.106944D+01  0.415275D+00 -0.725111D+00
      3   0.819138D+00 -0.206361D+01  0.708475D+01 -0.581046D+01 -0.690939D+00
                31            32            33            34            35 
      1  -0.720822D+00  0.127547D-01 -0.255552D+01  0.373237D+01  0.136713D+01
      2   0.122293D+01  0.536929D+00  0.195637D+01 -0.134797D+02  0.211207D+01
      3   0.454975D+01 -0.528467D+01 -0.219267D-01 -0.149689D+01 -0.112697D+00
                36            37            38            39            40 
      1  -0.645425D+00  0.790374D-02 -0.195785D-01 -0.207553D+01  0.776387D+00
      2   0.146870D+01  0.293087D+00  0.856028D+00  0.225624D+01 -0.522201D+00
      3  -0.475581D+01 -0.389431D+01 -0.883419D+01 -0.686135D+00  0.741460D+01
                41            42            43            44            45 
      1   0.843452D-02 -0.146270D+01 -0.589849D+01  0.412242D+01  0.467112D+00
      2  -0.161778D+01  0.521764D+01 -0.315903D+01  0.942370D+01  0.185027D+01
      3  -0.126638D+01  0.858115D+00  0.128117D+01  0.131729D+01 -0.481424D+01
                46            47            48            49            50 
      1   0.110930D-01  0.523370D-02  0.752223D+00 -0.940718D-02 -0.155204D+01
      2  -0.192088D+00 -0.103214D+00  0.677966D+01 -0.208624D+01  0.142346D+00
      3   0.232400D+01 -0.620845D+01  0.601149D-01  0.117089D+02  0.248352D+01
                51            52            53            54            55 
      1   0.168852D+01  0.180256D+01  0.108851D+02  0.129031D+01  0.147505D+00
      2  -0.146155D+01  0.667455D+01 -0.238769D+01 -0.684026D+00  0.990590D+00
      3  -0.359882D+00  0.113630D+01 -0.475332D-01  0.138401D+01  0.454121D+01
                56            57            58            59            60 
      1  -0.750957D+00  0.560701D+00  0.624928D+00 -0.890273D+00 -0.515291D+01
      2   0.129879D+01 -0.277372D+01  0.110532D+01  0.542940D+01 -0.481537D+01
      3   0.139760D+01 -0.185328D+01  0.103449D+02 -0.132129D+02 -0.749152D+01
                61            62            63            64            65 
      1  -0.175484D+01 -0.481991D+00  0.571560D+00 -0.125782D+01  0.329033D+01
      2  -0.136331D+02 -0.124586D+00 -0.201897D+01  0.150501D+02 -0.611537D+00
      3  -0.178856D+00 -0.573500D+01  0.472120D+01  0.268330D+01 -0.694713D+01
                66            67            68            69            70 
      1  -0.144377D+01  0.533736D+00 -0.879338D+01 -0.816654D+01  0.814717D+00
      2   0.905025D+01  0.743585D+00 -0.554677D+01 -0.423549D+00  0.180965D+01
      3   0.598574D+00 -0.196940D+00  0.107459D+02  0.547047D+01 -0.158571D+01
                71            72            73            74            75 
      1   0.144229D+01  0.242315D+01 -0.299064D+01 -0.195118D+01 -0.132930D+01
      2  -0.221463D+01  0.783490D+01 -0.107828D+02  0.628285D+00  0.143625D+02
      3   0.509971D+01  0.891037D+00 -0.116747D+02 -0.552998D+01  0.312506D+01
                76            77            78            79            80 
      1   0.666270D-01  0.852901D+01 -0.169816D+01  0.193890D+00  0.384989D+01
      2   0.565244D+00 -0.285449D+01  0.640216D+01  0.560600D+01  0.358861D+01
      3  -0.120174D+00  0.168216D+02  0.415783D+01  0.353043D+01  0.387826D+01
                81            82            83            84            85 
      1  -0.821136D+01  0.221909D+01 -0.238032D+01  0.519075D+00 -0.119019D+01
      2   0.171573D+02  0.248310D+01 -0.130386D+01 -0.126326D+01 -0.250088D+01
      3  -0.492792D+01 -0.330670D+01  0.315088D+01  0.131752D-01  0.327766D+01
                86            87            88            89            90 
      1   0.970153D+01  0.307462D+01  0.225723D+00  0.493902D+01  0.156758D+01
      2   0.675724D+01  0.490164D+01 -0.812081D+00  0.217251D+01  0.398146D+01
      3  -0.100975D+02 -0.650221D+01 -0.841879D+00 -0.521070D+01 -0.263154D+01
                91            92            93            94            95 
      1   0.319652D+00 -0.284505D+00  0.779131D+00 -0.499171D-01  0.148840D+01
      2  -0.934892D+00  0.175829D+00  0.210546D+01 -0.348569D+00 -0.256310D+01
      3   0.343816D+01 -0.242261D+01 -0.128472D+00  0.216003D+01  0.145503D+02
                96            97            98            99           100 
      1  -0.259494D+01  0.682730D+00  0.120252D+01 -0.570148D+00 -0.184012D+01
      2  -0.277373D+01 -0.633282D-01 -0.195949D+01 -0.111579D+01  0.575686D+00
      3   0.287599D+01  0.370584D+00  0.294461D+01  0.176746D+01 -0.403633D+01
               101           102           103           104           105 
      1   0.374843D+00  0.667215D+00  0.284718D+00 -0.105020D+02 -0.327393D+01
      2   0.876540D+00 -0.794833D+00  0.103820D+01  0.167329D+00  0.290094D+01
      3   0.940730D+00  0.469663D+00  0.344497D+01 -0.199272D+02 -0.507768D+00
               106           107           108           109           110 
      1   0.362759D+00 -0.289659D+00 -0.117281D+01  0.111599D+01  0.169481D+01
      2  -0.141432D+01  0.167451D+01 -0.716496D+00 -0.490098D+01 -0.670382D+00
      3   0.142708D+01 -0.257394D+01 -0.262388D+01  0.107326D+01  0.829534D+00
               111           112           113           114           115 
      1   0.126750D+01  0.970779D+00  0.513572D+00  0.127746D+01  0.774505D+00
      2  -0.731292D+01 -0.129083D+01 -0.270189D+01 -0.383433D+01 -0.665216D+01
      3  -0.520630D+00  0.163994D+01  0.960036D-02  0.231668D+01 -0.526677D+00
               116           117           118           119           120 
      1   0.414203D+01  0.469417D+01  0.166326D+01 -0.200414D+01 -0.218413D+00
      2  -0.156261D+01 -0.238858D+02  0.104459D+02 -0.117229D+01  0.455880D+01
      3   0.190009D+01  0.631985D+00  0.710675D+01 -0.664813D+01 -0.597633D+00
               121           122           123           124           125 
      1  -0.175902D+01  0.906093D-01 -0.665951D+00 -0.393289D+00  0.424795D+00
      2  -0.117312D+01  0.125444D+01 -0.215416D+01  0.109494D+01 -0.823373D+00
      3  -0.328829D+01  0.324672D+00  0.112724D-01 -0.103204D+01 -0.152394D+00
               126           127           128           129           130 
      1   0.683625D+00  0.669997D-01 -0.819020D-01  0.153856D+01  0.353666D-01
      2  -0.115156D+01  0.674176D+00 -0.439045D+00  0.162455D+00 -0.560694D+00
      3   0.144981D+01 -0.623902D+01  0.419239D+01  0.384309D+00  0.712799D+01
               131           132           133           134           135 
      1   0.468259D+00 -0.419499D+01 -0.393363D+00  0.167776D+01 -0.610869D-01
      2   0.989219D+00 -0.316201D+00 -0.142712D+01  0.144390D+00 -0.318767D-01
      3  -0.939475D+01 -0.948310D+00  0.604682D+00 -0.644837D+00  0.164384D-02
               136           137           138           139           140 
      1   0.142466D+00  0.345341D+00 -0.231916D+01 -0.150976D+00  0.149668D+00
      2  -0.185702D-02 -0.188801D-01  0.301069D+01  0.470801D+00  0.841345D+00
      3  -0.169022D+01 -0.471664D+01 -0.127508D+00 -0.375836D+01 -0.111588D+02
               141           142           143           144           145 
      1  -0.322780D+01  0.773397D+00  0.131450D+01 -0.179517D+00 -0.397512D-01
      2   0.346741D+01 -0.706968D+00 -0.322297D+00  0.192291D+00 -0.295359D+00
      3  -0.697145D+00 -0.539290D+00 -0.128757D+01 -0.303560D+00  0.937657D+00
               146           147           148           149           150 
      1  -0.865279D-01  0.695848D+00  0.243320D-01 -0.182123D-01 -0.383884D+00
      2  -0.635305D-01  0.624812D+01  0.742298D+00 -0.126974D+00 -0.920098D+00
      3  -0.531676D+01  0.117459D+00 -0.401492D+01  0.169821D+01  0.121461D+00
               151           152           153           154           155 
      1  -0.367763D+00  0.548997D+00 -0.160595D-02 -0.511262D-01 -0.483971D-01
      2  -0.236861D+01  0.104170D+00  0.856699D-01 -0.109225D+00  0.155257D+00
      3  -0.691656D+00  0.218110D+00  0.128208D+00  0.649788D+00 -0.212455D+01
               156           157           158           159           160 
      1   0.161060D+01  0.819336D-01  0.285374D+00 -0.442253D+01 -0.472568D+00
      2   0.143260D+01  0.217564D+00 -0.116158D+01 -0.295401D+01 -0.433063D+00
      3  -0.107840D+00 -0.135421D+01  0.142452D+02  0.114051D+01 -0.242783D+00
               161           162           163           164           165 
      1   0.157770D+01 -0.312918D+00  0.584676D+00  0.430687D+00 -0.241926D+01
      2   0.132283D+00 -0.465743D+00 -0.116124D+01 -0.459351D+00  0.767708D+00
      3   0.135657D+01  0.258504D+00  0.104454D+02  0.398806D+01 -0.118477D+00
               166           167           168           169           170 
      1  -0.642045D-01  0.947548D-01 -0.310270D+01  0.113156D+00  0.169334D+01
      2  -0.564871D+00 -0.602505D+00  0.132987D+01 -0.171290D+01 -0.227592D+00
      3   0.758558D+01  0.544464D+01  0.651287D+00 -0.343889D+00  0.604753D+00
               171           172           173           174           175 
      1  -0.549353D-02  0.454762D+00  0.170323D+01  0.762110D+00  0.523864D+00
      2   0.112651D+00 -0.120492D+02  0.672621D+00  0.326003D+01  0.192978D+01
      3   0.880087D-01 -0.358229D+01 -0.456805D+01 -0.696726D+00 -0.994515D+00
               176           177           178           179           180 
      1   0.312291D+00 -0.180408D+00  0.117554D+01  0.682140D+00 -0.124197D+00
      2   0.671145D+00 -0.130258D+01 -0.652099D-01 -0.892776D+00  0.394898D+00
      3  -0.211706D+00 -0.127981D+01 -0.818231D+00 -0.975521D+00 -0.701039D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117182D+02  0.214302D+02  0.204952D+01 -0.190594D+02  0.126832D+02
      2  -0.121876D+02 -0.141746D+02 -0.439136D+00  0.176907D+02 -0.192420D+02
      3   0.469411D+00 -0.725564D+01 -0.161039D+01  0.136873D+01  0.655885D+01
      4   0.182181D+02 -0.739500D+01 -0.105540D+01  0.107464D+02  0.603470D+01
      5   0.153534D+01 -0.677367D+00  0.301048D-01 -0.314690D+00  0.298044D+01
      6  -0.171835D+01 -0.282487D+00 -0.372148D+01  0.234025D+01 -0.503467D+01
                 6             7             8             9            10 
      1   0.188457D+01 -0.201622D+01  0.120946D+01 -0.550134D+01 -0.193034D+01
      2  -0.312723D+01  0.269398D+01 -0.449808D+01 -0.240587D+01  0.568428D+00
      3   0.124266D+01 -0.677763D+00  0.328862D+01  0.790721D+01  0.136191D+01
      4   0.299574D+01 -0.242707D+00  0.396988D+01 -0.144601D+02 -0.147123D+02
      5  -0.973602D+01  0.122013D+02 -0.151251D+02 -0.420045D+01 -0.555448D+00
      6   0.599586D+01 -0.701645D+01  0.158783D+02  0.135238D+01  0.279695D+00
                11            12            13            14            15 
      1  -0.173315D+02 -0.211020D+01  0.625318D+01  0.503590D+01  0.224705D+01
      2   0.133079D+02 -0.971370D-01 -0.164059D+02 -0.838728D+01 -0.160771D+01
      3   0.402353D+01  0.220733D+01  0.101527D+02  0.335138D+01 -0.639337D+00
      4  -0.979629D+01 -0.688978D+00  0.581466D+01 -0.145874D+02 -0.120627D+01
      5  -0.781729D+00 -0.248496D+01  0.536309D+00 -0.113271D+01 -0.141426D+00
      6   0.359954D+00  0.524926D+01 -0.393708D+01 -0.288268D+01  0.457950D+01
                16            17            18            19            20 
      1   0.882086D+00  0.227645D+01 -0.146345D+02 -0.204633D+02  0.348578D+01
      2  -0.314349D+01 -0.341945D+01  0.136361D+01  0.594771D+01 -0.294777D+01
      3   0.226140D+01  0.114300D+01  0.132709D+02  0.145156D+02 -0.538005D+00
      4   0.104275D+01 -0.136986D+01 -0.307144D+01  0.202041D+01  0.183148D+01
      5   0.122280D+01 -0.132807D+01  0.346903D+00  0.136364D+01 -0.182951D+00
      6   0.647123D+01  0.112009D+02  0.201698D+00 -0.136205D+01 -0.379305D+00
                21            22            23            24            25 
      1   0.156736D+01 -0.168949D+01 -0.117558D+02 -0.707064D+00 -0.471888D-01
      2   0.794766D-01  0.577722D+01  0.177056D+02  0.353153D+01  0.187618D+01
      3  -0.164683D+01 -0.408773D+01 -0.594974D+01 -0.282447D+01 -0.182899D+01
      4  -0.146628D+00 -0.133928D+02  0.190346D+01 -0.807098D+00 -0.240285D+01
      5   0.847426D+00 -0.300860D+01 -0.548777D+00  0.221458D+01  0.770518D+01
      6  -0.155487D+01  0.150618D+01  0.250978D+01 -0.329868D+01 -0.166215D+01
                26            27            28            29            30 
      1  -0.935335D+00 -0.619284D+01  0.127740D+02  0.118100D+02  0.768125D+00
      2   0.213688D+01 -0.447459D+01 -0.102285D+02 -0.887970D+01  0.463275D-01
      3  -0.120154D+01  0.106674D+02 -0.254553D+01 -0.293031D+01 -0.814452D+00
      4  -0.467790D+00  0.975312D+00  0.762070D+01 -0.171324D+02 -0.156978D+01
      5   0.522937D+00 -0.806313D+00  0.814703D-01 -0.159500D+01 -0.324034D+01
      6   0.403656D+01 -0.218035D+01 -0.625998D+00 -0.325408D+00 -0.314480D+01
                31            32            33            34            35 
      1  -0.311925D+00  0.112030D+02  0.178628D+01  0.779185D-01  0.156339D+01
      2   0.895688D+01 -0.173918D+02 -0.312147D+01  0.210721D+01 -0.463470D+01
      3  -0.864496D+01  0.618883D+01  0.133519D+01 -0.218513D+01  0.307130D+01
      4   0.101983D+02  0.136230D+02  0.779397D+00 -0.366548D+00  0.468255D+00
      5   0.885850D+00  0.923749D+00  0.174884D+01  0.442600D+01  0.508028D+01
      6   0.207583D+01 -0.393552D+01  0.586230D+01 -0.244792D+01  0.159608D+02
                36            37            38            39            40 
      1  -0.150490D+02 -0.170984D+01 -0.245439D+02 -0.295623D+01  0.256050D+02
      2   0.266918D+01 -0.879111D+00  0.161277D+02  0.636659D+00 -0.254700D+02
      3   0.123798D+02  0.258895D+01  0.841627D+01  0.231957D+01 -0.135017D+00
      4   0.626552D+01 -0.169967D+02  0.195598D+01  0.964913D-01  0.189910D+00
      5   0.206285D+01 -0.114147D+01 -0.636475D-02  0.495979D+01 -0.225598D+01
      6   0.263039D+01 -0.298236D+00  0.106211D+01  0.497017D+01 -0.350335D+01
                41            42            43            44            45 
      1   0.601885D+01  0.495685D+00  0.231638D+01  0.924308D+00  0.142282D+01
      2  -0.103003D+02 -0.881504D+00 -0.465812D+01 -0.311604D+01 -0.783909D+01
      3   0.428144D+01  0.385819D+00  0.234174D+01  0.219173D+01  0.641627D+01
      4  -0.121757D+02 -0.410491D+01 -0.158098D+01 -0.451827D+01  0.149634D+02
      5  -0.398808D+01  0.106316D+02  0.186462D+02  0.152901D+02  0.385687D+01
      6  -0.346249D+01  0.344706D+01  0.791507D+01  0.118852D+02 -0.147193D+00
                46            47            48            49            50 
      1  -0.151193D+02  0.493384D+01  0.805277D+00 -0.931223D+01 -0.235790D+02
      2   0.102335D+02 -0.335045D+01 -0.285276D+00  0.946632D+01  0.209027D+02
      3   0.488576D+01 -0.158339D+01 -0.520000D+00 -0.154084D+00  0.267636D+01
      4   0.301660D+01  0.207855D+02  0.508830D+00 -0.213708D+02  0.380255D+01
      5   0.940534D+00  0.402650D+00  0.150754D+02 -0.552969D+01  0.907572D+00
      6   0.685648D+00  0.608760D-01 -0.189190D+01  0.131091D+01  0.227056D+01
                51            52            53            54            55 
      1  -0.394316D+01 -0.513919D+00 -0.386328D+01  0.137777D+02  0.128739D+02
      2   0.465107D+01  0.177758D+01  0.314779D+01 -0.176016D+02 -0.525367D+01
      3  -0.707911D+00 -0.126366D+01  0.715485D+00  0.382390D+01 -0.762027D+01
      4   0.135112D+01 -0.608790D+01  0.114691D+01 -0.385723D+01 -0.621139D+01
      5  -0.269627D+01  0.350097D+02 -0.372748D+01 -0.110947D+01  0.343810D+00
      6  -0.329214D+01 -0.261058D+01  0.411959D+01 -0.195148D+01  0.197940D+01
                56            57            58            59            60 
      1  -0.328595D+01  0.244939D+01 -0.798666D+01  0.294040D+01  0.560372D+01
      2   0.288129D+01 -0.767244D-01  0.106958D+02 -0.123832D+02 -0.766211D+01
      3   0.404653D+00 -0.237266D+01 -0.270911D+01  0.944280D+01  0.205839D+01
      4  -0.782664D+01  0.519630D+01 -0.811978D+01  0.264090D+02  0.124906D+02
      5   0.486911D+01 -0.182775D+02  0.795193D+01  0.118119D+02 -0.119371D+02
      6   0.556292D+00 -0.617362D+00  0.403236D+01 -0.654997D+01 -0.605292D+00
                61            62            63            64            65 
      1   0.601892D+00  0.235460D+01 -0.819032D+01 -0.412493D+02  0.147663D+01
      2   0.241653D+01 -0.477847D+01  0.102556D+02  0.192073D+02 -0.751014D-01
      3  -0.301842D+01  0.242386D+01 -0.206530D+01  0.220420D+02 -0.140153D+01
      4   0.584663D+01  0.102677D+02 -0.486974D+01  0.393123D+01  0.101501D+02
      5  -0.350703D+02 -0.544853D+01  0.388673D+01 -0.172592D+02 -0.340528D+01
      6  -0.243518D+01 -0.832673D+01  0.429003D+01 -0.141519D+01  0.469086D+01
                66            67            68            69            70 
      1  -0.609242D+01 -0.795568D+00  0.578505D+01  0.186796D+01 -0.173116D+01
      2   0.805700D+00  0.116151D+01  0.330757D+01 -0.327489D+00 -0.722580D+01
      3   0.528672D+01 -0.365940D+00 -0.909262D+01 -0.154048D+01  0.895696D+01
      4  -0.382453D+01  0.999962D+01 -0.180296D+02 -0.524301D+01 -0.433963D+01
      5   0.101131D+02 -0.609189D+01 -0.243731D+01 -0.395822D+01  0.245159D+02
      6  -0.140988D+01  0.340934D+01 -0.140746D+02 -0.820842D+00 -0.115552D+01
                71            72            73            74            75 
      1   0.826788D+00 -0.654607D+01 -0.537487D+02  0.857929D+01  0.124771D+02
      2   0.156071D+01 -0.166870D+02  0.299886D+02 -0.289926D+01  0.288972D+01
      3  -0.238750D+01  0.232330D+02  0.237602D+02 -0.568003D+01 -0.153668D+02
      4  -0.719873D+01 -0.399098D+01  0.100677D+02  0.689845D+01 -0.327652D+01
      5  -0.381875D+01  0.230118D+02  0.156660D+02 -0.612499D+01  0.175407D+02
      6   0.334262D+01 -0.514825D+01 -0.623184D+01 -0.284417D+01  0.240105D+01
                76            77            78            79            80 
      1   0.151566D+02  0.774151D+01  0.100546D+01  0.313583D+01  0.226568D+01
      2  -0.104255D+02 -0.156660D+02  0.540255D+01  0.558302D+01  0.597605D+00
      3  -0.473104D+01  0.792447D+01 -0.640801D+01 -0.871885D+01 -0.286329D+01
      4   0.637797D+01 -0.240180D+02 -0.841324D+01 -0.640050D+01 -0.717560D+01
      5  -0.114959D+02 -0.104352D+02  0.151860D+02  0.206637D+02  0.982743D+01
      6  -0.334287D+01  0.821114D+01  0.479341D+01  0.365426D+01  0.552140D+01
                81            82            83            84            85 
      1   0.255639D+02 -0.927431D+00  0.280793D+01  0.335905D+01  0.684072D+01
      2   0.316546D+00  0.122348D+01 -0.137688D+01 -0.204701D+00 -0.443236D+01
      3  -0.258805D+02 -0.296050D+00 -0.143105D+01 -0.315435D+01 -0.240836D+01
      4   0.125705D+02  0.226946D+01 -0.330894D+01  0.374752D+00  0.147919D+01
      5   0.320208D+01  0.680888D+00  0.135574D+01 -0.149164D+01  0.515281D+01
      6  -0.899716D+01  0.230368D+01 -0.276531D+01 -0.354755D+00 -0.453836D+00
                86            87            88            89            90 
      1  -0.101289D+02 -0.477802D+01  0.257873D+01 -0.283010D+01 -0.543735D+01
      2   0.500853D+01 -0.534896D+00 -0.142712D+01 -0.622128D+00 -0.136172D+01
      3   0.512042D+01  0.531292D+01 -0.115161D+01  0.345223D+01  0.679906D+01
      4   0.173971D+02  0.108960D+02  0.105332D+01  0.929735D+01  0.397439D+01
      5   0.841326D+01  0.850179D+01  0.256482D+01  0.372561D+01  0.655513D+01
      6   0.141283D+02  0.110983D+02  0.286288D+00  0.919782D+01  0.441804D+01
                91            92            93            94            95 
      1   0.163288D+01 -0.356888D+01 -0.935439D+00 -0.239956D+01 -0.113410D+02
      2   0.332054D+01 -0.223828D+00  0.902549D-01 -0.281958D+01  0.257278D+02
      3  -0.495342D+01  0.379271D+01  0.845184D+00  0.521913D+01 -0.143867D+02
      4  -0.811155D+01  0.109608D+02  0.144471D+01  0.124864D+02 -0.314483D+02
      5  -0.212821D+01  0.130159D+01  0.548296D+01  0.962243D+00 -0.514909D+01
      6   0.183773D+01 -0.134032D+01 -0.181916D+00 -0.150844D+01  0.762686D+01
                96            97            98            99           100 
      1  -0.234513D+01 -0.477557D+00 -0.220015D+01 -0.253826D+01  0.426382D+01
      2   0.440123D+01 -0.544691D-01  0.292600D+01  0.242101D+01  0.693283D+00
      3  -0.205610D+01  0.532026D+00 -0.725851D+00  0.117253D+00 -0.495711D+01
      4  -0.572312D+01  0.145139D+01 -0.578399D+01 -0.522191D+01  0.327931D+01
      5  -0.588325D+01  0.574282D+01 -0.463669D+01 -0.358588D+01 -0.435130D+00
      6   0.581746D+01 -0.143154D+01  0.803628D+01  0.305078D+01 -0.645676D+00
               101           102           103           104           105 
      1   0.385419D+01 -0.173435D+01  0.612169D+01 -0.113995D+02  0.137207D+01
      2  -0.198666D+01 -0.648770D+00 -0.231941D+01  0.249305D+02  0.158122D+01
      3  -0.186754D+01  0.238312D+01 -0.380228D+01 -0.135311D+02 -0.295330D+01
      4   0.309769D+01  0.576530D+00  0.850165D+01  0.343553D+02 -0.108505D+01
      5  -0.644984D+00 -0.184952D+01 -0.392275D+01  0.469389D-01  0.652331D+01
      6   0.255987D+00 -0.933092D+00 -0.174694D+01 -0.146003D+02  0.515340D+01
               106           107           108           109           110 
      1   0.218447D+01  0.127037D+01 -0.499762D+01 -0.218054D+01 -0.192467D+01
      2  -0.187805D+01  0.179208D+01  0.261957D+01 -0.313420D+01  0.316639D+00
      3  -0.306418D+00 -0.306246D+01  0.237805D+01  0.531475D+01  0.160803D+01
      4   0.206333D+01  0.393604D+01  0.300910D+01 -0.205047D+01 -0.167378D+01
      5  -0.141230D+01  0.332910D+01  0.476560D+00 -0.144425D+01  0.102360D+01
      6  -0.895642D-01  0.374810D+01  0.136254D+00  0.924427D+00  0.242633D+01
               111           112           113           114           115 
      1  -0.126949D+02 -0.357328D+01 -0.575377D+01 -0.367773D+01 -0.878618D+01
      2  -0.156794D+01  0.199333D+01  0.137942D+01 -0.245728D+01  0.239506D+01
      3   0.142629D+02  0.157995D+01  0.437435D+01  0.613502D+01  0.639112D+01
      4  -0.713580D+00  0.122810D+00 -0.282742D+00 -0.416074D+01 -0.140385D+01
      5  -0.255724D+01  0.254962D+01 -0.269498D+01 -0.572218D+01  0.537750D+01
      6   0.787080D-01  0.105619D+01  0.154727D+01  0.783723D+01 -0.490309D-01
               116           117           118           119           120 
      1  -0.171388D+01 -0.307876D+02  0.836848D+02 -0.590960D+01 -0.890860D+01
      2  -0.143476D+01 -0.168344D+02 -0.464307D+02  0.334440D+01  0.792406D+01
      3   0.314864D+01  0.476220D+02 -0.372541D+02  0.256520D+01  0.984540D+00
      4  -0.428692D+01 -0.378298D+01 -0.167982D+01  0.103456D+02 -0.446652D-01
      5  -0.142703D+01 -0.325100D+02 -0.319682D+02  0.164157D+01  0.147671D+02
      6   0.616333D+01  0.100476D+00  0.243881D+01 -0.337828D+01  0.306584D+00
               121           122           123           124           125 
      1  -0.124322D+02  0.743948D+01  0.727660D+00 -0.724973D+00  0.152822D-01
      2   0.705008D+01 -0.185283D+01 -0.197147D+01  0.337498D+01 -0.531352D+00
      3   0.538211D+01 -0.558664D+01  0.124381D+01 -0.265001D+01  0.516069D+00
      4   0.116120D+02 -0.179868D+01 -0.902152D+00  0.966399D+00  0.553772D+00
      5   0.596652D+01 -0.251484D+01 -0.507727D+01  0.123755D+02 -0.205571D+01
      6  -0.361958D+01  0.676647D+00  0.117653D+01  0.114493D+00  0.659450D+00
               126           127           128           129           130 
      1   0.555470D+01 -0.562547D+01  0.887338D+01  0.902762D+00  0.761189D+01
      2  -0.626139D+01  0.739499D+01 -0.109652D+02 -0.666788D+00 -0.967078D+01
      3   0.706693D+00 -0.176952D+01  0.209180D+01 -0.235974D+00  0.205889D+01
      4  -0.199330D+01 -0.350226D+01  0.724597D+01  0.583407D+00  0.519384D+01
      5  -0.605291D+01 -0.339360D+00  0.643203D+00  0.102232D+01  0.476362D+00
      6   0.756976D+00  0.983162D+00 -0.117185D+01 -0.194722D+01 -0.109649D+01
               131           132           133           134           135 
      1  -0.348050D+02 -0.291360D+01  0.881151D+00 -0.276884D+01 -0.208305D+01
      2   0.476711D+02  0.277806D+01 -0.105281D+01  0.333190D+01  0.284706D+01
      3  -0.128660D+02  0.135545D+00  0.171658D+00 -0.563064D+00 -0.764015D+00
      4   0.176720D+01  0.291482D+00  0.398337D+00  0.228298D+00 -0.138805D+01
      5   0.370928D+00  0.667216D-01  0.676037D+00 -0.632286D+00 -0.180724D+00
      6   0.502313D+01  0.700142D+01 -0.628763D+00  0.324801D+01  0.100927D+01
               136           137           138           139           140 
      1   0.228892D+02  0.143519D+02  0.131252D+01  0.925464D+01  0.362711D+01
      2  -0.435194D+01  0.761753D+00 -0.553628D+00  0.649045D+01  0.169292D+02
      3  -0.185372D+02 -0.151137D+02 -0.758891D+00 -0.157451D+02 -0.205563D+02
      4   0.340753D+02  0.308165D+02  0.214444D+01  0.340100D+02  0.444961D+02
      5   0.342113D+01  0.244473D+01  0.603004D+01  0.342367D+01  0.394290D+01
      6   0.141498D+01  0.119035D+01  0.331414D+01  0.219839D+01  0.306994D+01
               141           142           143           144           145 
      1   0.361075D+00  0.696192D+00  0.200148D+00  0.146632D+00  0.988315D+02
      2   0.384460D+00  0.427465D+00  0.121742D+01  0.121746D+01 -0.555450D+02
      3  -0.745535D+00 -0.112366D+01 -0.141757D+01 -0.136410D+01 -0.432865D+02
      4   0.347495D+01  0.329326D+01  0.405341D+01  0.332751D+01 -0.161850D+02
      5   0.566957D+01  0.239546D+01  0.268486D+01  0.942021D+00 -0.178539D+01
      6   0.566159D+01  0.197464D+01  0.297195D+01  0.101292D+01 -0.111566D+01
               146           147           148           149           150 
      1  -0.100075D+02 -0.162321D+01 -0.877977D+01  0.101437D+02  0.721843D+00
      2   0.491191D+01  0.108584D+01  0.363145D+01 -0.452802D+01 -0.591177D+00
      3   0.509563D+01  0.537363D+00  0.514832D+01 -0.561572D+01 -0.130666D+00
      4   0.101711D+02  0.767172D-01  0.166497D+02 -0.529976D+01 -0.430689D+00
      5  -0.120356D-01  0.106081D+02  0.142821D+01 -0.359641D+00 -0.136906D+01
      6   0.749366D-01 -0.970740D+00 -0.134736D+00 -0.787472D-01  0.146883D+01
               151           152           153           154           155 
      1  -0.121139D+01  0.721290D+00  0.395490D+01  0.514239D+01 -0.468472D+01
      2   0.625304D+00 -0.409951D+00 -0.232075D+01  0.394828D+01 -0.558198D+01
      3   0.586085D+00 -0.311340D+00 -0.163415D+01 -0.909067D+01  0.102667D+02
      4   0.147846D+01 -0.461522D+00 -0.846374D+00 -0.185866D+02  0.232752D+02
      5   0.348441D+01 -0.596294D+00  0.157072D-01 -0.184058D+01  0.200767D+01
      6  -0.348571D+00  0.644290D+00  0.158162D+00  0.134980D+01 -0.151315D+01
               156           157           158           159           160 
      1  -0.489956D+00  0.121976D+01 -0.173223D+02 -0.164422D+01  0.430050D-01
      2  -0.174384D+00 -0.122632D+02  0.413386D+02  0.262050D+01 -0.886829D+00
      3   0.664340D+00  0.110434D+02 -0.240163D+02 -0.976275D+00  0.843824D+00
      4   0.219904D+01  0.242995D+02 -0.485888D+02 -0.435034D+01  0.242404D+01
      5   0.355955D+01  0.221386D+01 -0.396554D+01 -0.510064D+01  0.152111D+01
      6  -0.234347D+01 -0.222604D+01  0.555196D+01  0.755447D+01 -0.165063D+01
               161           162           163           164           165 
      1  -0.147152D+01 -0.164929D+01 -0.450532D+01 -0.685951D+01 -0.773232D+00
      2   0.309694D+01  0.279299D+01  0.633814D+01  0.948806D+01  0.629609D+00
      3  -0.162542D+01 -0.114370D+01 -0.183282D+01 -0.262855D+01  0.143623D+00
      4  -0.467117D+01 -0.284425D+01  0.903447D+01  0.836237D+01  0.503921D+00
      5  -0.197508D+01 -0.129994D+01 -0.188419D+00  0.372168D+00  0.203497D+01
      6   0.387585D+01  0.167503D+01  0.748324D+00  0.101386D+01  0.248849D+01
               166           167           168           169           170 
      1  -0.794785D+01 -0.205163D+02 -0.201314D+01 -0.843793D+00 -0.196095D+01
      2   0.110948D+02  0.276517D+02  0.160306D+01  0.133652D+01  0.232846D+01
      3  -0.314697D+01 -0.713541D+01  0.410086D+00 -0.492729D+00 -0.367506D+00
      4   0.843171D+01  0.841627D+01  0.480797D+00  0.684185D+00  0.726100D+00
      5   0.622243D+00  0.481047D+00  0.155467D+01  0.100782D+01  0.863482D+00
      6   0.135271D+01  0.280177D+01  0.490793D+01  0.828075D+00  0.204898D+01
               171           172           173           174           175 
      1  -0.574109D+00  0.691109D+02 -0.278018D+01  0.115532D+02 -0.412888D+01
      2   0.146910D+01 -0.385845D+02  0.968363D+00 -0.893604D+01  0.504947D+00
      3  -0.894996D+00 -0.305264D+02  0.181182D+01 -0.261715D+01  0.362394D+01
      4   0.222098D+01 -0.496708D+01  0.711406D+01  0.179322D+00  0.836613D+01
      5   0.300663D+00  0.342472D+02 -0.669443D-01  0.142906D+02  0.449815D+00
      6   0.705728D+00 -0.153264D+01  0.230872D+01  0.263083D+00  0.148152D+01
               176           177           178           179           180 
      1   0.339848D+01  0.223911D+01  0.349184D+01  0.240669D+01  0.278678D+01
      2  -0.163099D+01 -0.125216D+01 -0.375002D+01 -0.400436D+00 -0.315983D+01
      3  -0.176749D+01 -0.986942D+00  0.258176D+00 -0.200625D+01  0.373049D+00
      4  -0.144545D+01  0.286081D+01  0.212286D+01  0.128610D+01 -0.980329D+00
      5   0.334745D+01 -0.475622D+00  0.854293D+01 -0.227811D-01  0.428265D+01
      6  -0.234010D+00  0.212264D+01  0.811906D+00  0.166501D+01 -0.509316D+00
 Leave Link  716 at Thu Aug 12 22:04:44 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131597D+03  0.530071D+00 -0.805692D+00
      2   0.530071D+00  0.105878D+03  0.256438D+01
      3  -0.805692D+00  0.256438D+01  0.764610D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.880763D+00 -0.263187D+01 -0.794644D+00
      2   0.302138D+01 -0.694604D+01  0.185102D+02
      3  -0.329050D+01  0.348377D+02  0.626590D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.642368D+02 -0.181351D+00  0.530893D+01
      2   0.130146D+02  0.417428D+01  0.527066D+01
      3   0.512222D+02 -0.399293D+01 -0.105796D+02
      4   0.694249D+01 -0.733190D+02 -0.167416D+02
      5  -0.959267D+01 -0.164038D+02  0.505564D+02
      6  -0.601890D+01 -0.681314D+01  0.279782D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311632D+01 -0.520649D+00 -0.175271D+00  0.462277D+01 -0.156772D-01
      2  -0.520649D+00 -0.140936D+01  0.378098D-01 -0.156772D-01  0.935197D+00
      3  -0.175271D+00  0.378098D-01 -0.958372D+00  0.171316D+00 -0.479089D+00
                 6             7             8             9            10 
      1   0.171316D+00  0.535138D+00  0.229832D+00 -0.184182D+01 -0.260008D+01
      2  -0.479089D+00  0.229832D+00 -0.737191D+00  0.375261D+01 -0.875656D+00
      3   0.209320D+01 -0.184182D+01  0.375261D+01  0.121714D+01  0.133017D+00
                11            12            13            14            15 
      1  -0.875656D+00  0.133017D+00  0.719598D+01  0.118662D+00 -0.244645D+00
      2   0.289544D+01  0.165508D+00  0.118662D+00  0.105277D+01 -0.325577D+00
      3   0.165508D+00  0.159955D+01 -0.244645D+00 -0.325577D+00  0.153847D+01
                16            17            18            19            20 
      1   0.902285D+00 -0.109380D+00  0.172925D+01  0.146724D+02 -0.116508D+01
      2  -0.109380D+00 -0.449547D+00  0.303321D+01 -0.116508D+01  0.256066D+01
      3   0.172925D+01  0.303321D+01  0.529652D+00 -0.114752D+00  0.185588D+00
                21            22            23            24            25 
      1  -0.114752D+00 -0.281925D+01 -0.142080D+01 -0.720133D+00 -0.830362D+00
      2   0.185588D+00 -0.142080D+01 -0.876359D+00 -0.142449D+00 -0.615174D+00
      3   0.164852D+01 -0.720133D+00 -0.142449D+00  0.272860D+00  0.389428D+01
                26            27            28            29            30 
      1  -0.615174D+00  0.389428D+01 -0.403934D+01  0.227297D+01  0.219002D+00
      2  -0.257606D+00 -0.170280D+00  0.227297D+01  0.213622D+01  0.459653D-01
      3  -0.170280D+00  0.200879D+00  0.219002D+00  0.459653D-01  0.113338D+01
                31            32            33            34            35 
      1  -0.571705D+01  0.413229D-01  0.466009D-01 -0.575777D+00 -0.142981D+00
      2   0.413229D-01 -0.114242D+01  0.312380D+00 -0.142981D+00  0.673395D+00
      3   0.466009D-01  0.312380D+00 -0.208863D+01  0.101836D+01 -0.387895D+01
                36            37            38            39            40 
      1   0.101836D+01  0.152475D+01 -0.381493D+00 -0.160069D-01 -0.477548D+01
      2  -0.387895D+01 -0.381493D+00 -0.276370D+01 -0.275429D+00  0.909414D+00
      3  -0.128179D+01 -0.160069D-01 -0.275429D+00 -0.142864D+01  0.341607D+00
                41            42            43            44            45 
      1   0.909414D+00  0.341607D+00 -0.662566D+00  0.379580D+00 -0.289011D+01
      2  -0.260113D+00  0.556161D+00  0.379580D+00  0.643434D+00 -0.311345D+01
      3   0.556161D+00 -0.174171D+01 -0.289011D+01 -0.311345D+01 -0.626875D+00
                46            47            48            49            50 
      1  -0.465752D+01  0.458402D-01  0.333522D-02  0.630982D+00  0.576128D+00
      2   0.458402D-01 -0.314970D+01 -0.913529D-01  0.576128D+00 -0.348585D+00
      3   0.333522D-02 -0.913529D-01 -0.250104D+01  0.704736D+00 -0.218901D+00
                51            52            53            54            55 
      1   0.704736D+00  0.128336D+00  0.610793D+00 -0.516972D+01 -0.158653D+01
      2  -0.218901D+00  0.610793D+00 -0.430966D-01  0.570489D+00 -0.597662D+00
      3   0.384164D+00 -0.516972D+01  0.570489D+00  0.191050D+00  0.375450D+00
                56            57            58            59            60 
      1  -0.597662D+00  0.375450D+00 -0.185353D+01 -0.151881D+01  0.134792D+01
      2  -0.707879D+00  0.104385D+01 -0.151881D+01  0.588934D+01  0.259707D+01
      3   0.104385D+01 -0.334627D+01  0.134792D+01  0.259707D+01 -0.245508D+01
                61            62            63            64            65 
      1  -0.285567D+00  0.925781D+00 -0.554707D+01 -0.765515D+01  0.230407D-01
      2   0.925781D+00  0.222249D+01 -0.721508D+00  0.230407D-01  0.775674D+00
      3  -0.554707D+01 -0.721508D+00  0.331242D+00 -0.101026D+00 -0.455647D+00
                66            67            68            69            70 
      1  -0.101026D+00 -0.182084D-01  0.118761D+01 -0.891504D+00  0.312161D+01
      2  -0.455647D+00  0.118761D+01 -0.383547D+01 -0.113551D+01 -0.654447D+00
      3   0.117011D+01 -0.891504D+00 -0.113551D+01 -0.586226D+00  0.336216D+01
                71            72            73            74            75 
      1  -0.654447D+00  0.336216D+01 -0.874173D+01  0.193637D+01  0.263645D+00
      2  -0.172208D+01 -0.991506D+00  0.193637D+01  0.826465D+00 -0.725258D+00
      3  -0.991506D+00  0.446528D+01  0.263645D+00 -0.725258D+00  0.427730D+01
                76            77            78            79            80 
      1   0.423657D+01  0.929968D+00 -0.121505D+01 -0.214605D+01 -0.101121D+01
      2   0.929968D+00 -0.491113D+01 -0.161284D+01 -0.101121D+01 -0.143436D+01
      3  -0.121505D+01 -0.161284D+01  0.322214D+01  0.403511D+01  0.197199D+01
                81            82            83            84            85 
      1   0.403511D+01 -0.521553D+00  0.615749D+00  0.651375D-01  0.178811D+01
      2   0.197199D+01  0.615749D+00 -0.859183D+00 -0.151486D+00 -0.786355D-01
      3   0.332876D+01  0.651375D-01 -0.151486D+00 -0.815852D+00  0.363893D+00
                86            87            88            89            90 
      1  -0.786355D-01  0.363893D+00  0.442652D+00  0.181285D+00  0.111469D+00
      2   0.390100D+01  0.238876D+01  0.181285D+00  0.209229D+01  0.103286D+01
      3   0.238876D+01  0.209311D+01  0.111469D+00  0.103286D+01  0.202697D+01
                91            92            93            94            95 
      1   0.903762D-01 -0.137704D+01 -0.410421D+00 -0.229226D+01  0.177699D+01
      2  -0.137704D+01  0.121092D+01  0.134104D+00  0.177699D+01 -0.711925D+01
      3  -0.410421D+00  0.134104D+00  0.836704D+00  0.598395D-01 -0.126537D+01
                96            97            98            99           100 
      1   0.598395D-01 -0.489823D+00  0.157567D+00  0.946103D+00  0.352727D+00
      2  -0.126537D+01  0.157567D+00 -0.129341D+01 -0.123887D+01  0.772938D+00
      3  -0.141566D+01  0.946103D+00 -0.123887D+01 -0.818657D+00  0.234466D+00
               101           102           103           104           105 
      1   0.772938D+00  0.234466D+00  0.186376D+01  0.703988D+00 -0.329805D+00
      2  -0.394869D-01  0.137702D+00  0.703988D+00  0.687441D+01 -0.245164D+00
      3   0.137702D+00 -0.649098D+00 -0.329805D+00 -0.245164D+00  0.133804D+01
               106           107           108           109           110 
      1   0.854752D+00  0.187565D+00 -0.461794D+00 -0.179984D+00 -0.376308D+00
      2   0.187565D+00  0.670428D+00  0.732324D+00 -0.376308D+00 -0.463621D+00
      3  -0.461794D+00  0.732324D+00 -0.186231D+00 -0.118621D+01  0.203258D-01
               111           112           113           114           115 
      1  -0.118621D+01 -0.849096D+00 -0.199174D+00  0.137267D+00 -0.141811D+01
      2   0.203258D-01 -0.199174D+00 -0.100589D+00 -0.106974D+01 -0.947354D-01
      3  -0.251808D+01  0.137267D+00 -0.106974D+01 -0.153263D+01 -0.566842D+00
               116           117           118           119           120 
      1  -0.947354D-01 -0.566842D+00  0.128316D+02 -0.749963D+00 -0.194900D+01
      2  -0.100362D+01 -0.451002D+00 -0.749963D+00  0.104125D+01  0.230307D-02
      3  -0.451002D+00 -0.923970D+01 -0.194900D+01  0.230307D-02  0.134809D+01
               121           122           123           124           125 
      1  -0.218729D+01  0.129436D+01  0.523739D+00 -0.316005D+00  0.193847D+00
      2   0.129436D+01 -0.119320D+00 -0.690711D-01  0.193847D+00  0.210728D+00
      3   0.523739D+00 -0.690711D-01 -0.849368D+00  0.116663D+01 -0.334368D+00
               126           127           128           129           130 
      1   0.116663D+01  0.159082D+01 -0.183953D+01 -0.166823D+00 -0.156132D+01
      2  -0.334368D+00 -0.183953D+01  0.214436D+01  0.194324D+00  0.202382D+01
      3  -0.822808D+00 -0.166823D+00  0.194324D+00  0.217482D+00  0.187557D+00
               131           132           133           134           135 
      1   0.202382D+01  0.187557D+00 -0.912745D-01  0.212461D+00  0.428114D-02
      2  -0.906236D+01 -0.676042D+00  0.212461D+00 -0.720430D+00 -0.298124D+00
      3  -0.676042D+00 -0.988443D+00  0.428114D-02 -0.298124D+00 -0.935458D-01
               136           137           138           139           140 
      1  -0.511712D+01 -0.395145D+01 -0.346699D+00 -0.376282D+01 -0.447501D+01
      2  -0.395145D+01 -0.360866D+01 -0.251144D+00 -0.447501D+01 -0.667747D+01
      3  -0.346699D+00 -0.251144D+00 -0.653132D+00 -0.422691D+00 -0.545566D+00
               141           142           143           144           145 
      1  -0.422691D+00 -0.322262D+00 -0.441427D+00 -0.222662D+00 -0.131374D+02
      2  -0.545566D+00 -0.441427D+00 -0.688234D+00 -0.264252D+00  0.147369D+01
      3  -0.869046D+00 -0.222662D+00 -0.264252D+00 -0.918409D-01  0.232415D+00
               146           147           148           149           150 
      1   0.147369D+01  0.232415D+00  0.141060D+01 -0.176454D+01 -0.180520D+00
      2  -0.955829D+00 -0.733267D-02 -0.176454D+01  0.545168D+00  0.471067D-01
      3  -0.733267D-02 -0.101645D+01 -0.180520D+00  0.471067D-01  0.159484D+00
               151           152           153           154           155 
      1   0.134326D+00 -0.185393D+00 -0.116225D+00 -0.226186D+01  0.264473D+01
      2  -0.185393D+00  0.473992D-01  0.564792D-01  0.264473D+01 -0.278679D+01
      3  -0.116225D+00  0.564792D-01 -0.444234D-01  0.286416D+00 -0.281864D+00
               156           157           158           159           160 
      1   0.286416D+00  0.227427D+01 -0.380448D+01 -0.389339D+00  0.271501D+00
      2  -0.281864D+00 -0.380448D+01  0.981194D+01  0.903296D+00 -0.399276D+00
      3  -0.379820D+00 -0.389339D+00  0.903296D+00  0.103054D+01 -0.137580D+00
               161           162           163           164           165 
      1  -0.399276D+00 -0.137580D+00  0.373039D+01  0.241617D+01  0.384068D-01
      2   0.944709D+00  0.333823D+00  0.241617D+01  0.238167D+01  0.146415D+00
      3   0.333823D+00  0.217373D+00  0.384068D-01  0.146415D+00  0.465645D+00
               166           167           168           169           170 
      1   0.265701D+01  0.286618D+01  0.296361D+00 -0.300553D-01  0.264398D+00
      2   0.286618D+01  0.575641D+01  0.456646D+00  0.264398D+00  0.585004D+00
      3   0.296361D+00  0.456646D+00  0.831150D+00  0.124624D-01  0.168125D+00
               171           172           173           174           175 
      1   0.124624D-01  0.125888D+02 -0.366648D+00  0.261492D+01 -0.843755D+00
      2   0.168125D+00 -0.366648D+00  0.771551D+00  0.125624D+00  0.848672D+00
      3   0.528650D-01  0.261492D+01  0.125624D+00  0.156995D+01  0.212856D+00
               176           177           178           179           180 
      1   0.848672D+00  0.212856D+00  0.777242D+00  0.310917D+00  0.673719D+00
      2  -0.313177D+00  0.523883D+00  0.310917D+00  0.259698D+00 -0.189599D+00
      3   0.523883D+00 -0.436351D+00  0.673719D+00 -0.189599D+00  0.644652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.146086D+00 -0.157063D+00  0.184613D+01 -0.541007D+00  0.607867D-01
      2   0.303225D+00  0.121190D+01  0.788103D+00  0.481065D+00  0.132200D+01
      3  -0.293258D+01 -0.133116D+02 -0.125203D+01  0.402451D+01 -0.397210D-01
                 6             7             8             9            10 
      1  -0.275128D+01  0.461300D+01  0.829496D+00 -0.353025D+00 -0.740743D+00
      2  -0.468668D+01 -0.795801D+01 -0.851245D+01 -0.187716D+01 -0.299548D+00
      3  -0.760979D+00  0.804389D+00 -0.142009D+01  0.468809D+01  0.553959D-01
                11            12            13            14            15 
      1   0.131593D+00 -0.247773D+01  0.647595D+00 -0.253205D+00 -0.206498D+01
      2   0.307275D+00 -0.144133D+01  0.117057D+01 -0.347405D+00 -0.169978D+01
      3  -0.640101D+00  0.108475D+00  0.166688D+01  0.504553D+01 -0.286179D+00
                16            17            18            19            20 
      1  -0.657167D+01  0.388847D+01  0.620320D-01  0.269267D+00  0.308528D-01
      2  -0.129931D+02 -0.728136D+00 -0.378433D+00  0.575949D+00 -0.473649D+00
      3  -0.186167D+01  0.217338D-01  0.618069D+01 -0.323722D+01  0.564133D+01
                21            22            23            24            25 
      1  -0.201772D+00  0.320080D+00 -0.988363D+00  0.162858D+01  0.841361D+00
      2  -0.224141D+01 -0.639939D+00 -0.588894D+00  0.116600D+01 -0.141208D+02
      3   0.615484D+00  0.145960D+02 -0.515735D+00  0.851376D+00  0.100493D+01
                26            27            28            29            30 
      1   0.912212D+01  0.116541D+01 -0.228550D+00 -0.242356D+00  0.148584D+01
      2   0.143507D+00 -0.351551D+00 -0.106944D+01  0.415275D+00 -0.725111D+00
      3   0.819138D+00 -0.206361D+01  0.708475D+01 -0.581046D+01 -0.690939D+00
                31            32            33            34            35 
      1  -0.720822D+00  0.127547D-01 -0.255552D+01  0.373237D+01  0.136713D+01
      2   0.122293D+01  0.536929D+00  0.195637D+01 -0.134797D+02  0.211207D+01
      3   0.454975D+01 -0.528467D+01 -0.219267D-01 -0.149689D+01 -0.112697D+00
                36            37            38            39            40 
      1  -0.645425D+00  0.790374D-02 -0.195785D-01 -0.207553D+01  0.776387D+00
      2   0.146870D+01  0.293087D+00  0.856028D+00  0.225624D+01 -0.522201D+00
      3  -0.475581D+01 -0.389431D+01 -0.883419D+01 -0.686135D+00  0.741460D+01
                41            42            43            44            45 
      1   0.843452D-02 -0.146270D+01 -0.589849D+01  0.412242D+01  0.467112D+00
      2  -0.161778D+01  0.521764D+01 -0.315903D+01  0.942370D+01  0.185027D+01
      3  -0.126638D+01  0.858115D+00  0.128117D+01  0.131729D+01 -0.481424D+01
                46            47            48            49            50 
      1   0.110930D-01  0.523370D-02  0.752223D+00 -0.940718D-02 -0.155204D+01
      2  -0.192088D+00 -0.103214D+00  0.677966D+01 -0.208624D+01  0.142346D+00
      3   0.232400D+01 -0.620845D+01  0.601149D-01  0.117089D+02  0.248352D+01
                51            52            53            54            55 
      1   0.168852D+01  0.180256D+01  0.108851D+02  0.129031D+01  0.147505D+00
      2  -0.146155D+01  0.667455D+01 -0.238769D+01 -0.684026D+00  0.990590D+00
      3  -0.359882D+00  0.113630D+01 -0.475332D-01  0.138401D+01  0.454121D+01
                56            57            58            59            60 
      1  -0.750957D+00  0.560701D+00  0.624928D+00 -0.890273D+00 -0.515291D+01
      2   0.129879D+01 -0.277372D+01  0.110532D+01  0.542940D+01 -0.481537D+01
      3   0.139760D+01 -0.185328D+01  0.103449D+02 -0.132129D+02 -0.749152D+01
                61            62            63            64            65 
      1  -0.175484D+01 -0.481991D+00  0.571560D+00 -0.125782D+01  0.329033D+01
      2  -0.136331D+02 -0.124586D+00 -0.201897D+01  0.150501D+02 -0.611537D+00
      3  -0.178856D+00 -0.573500D+01  0.472120D+01  0.268330D+01 -0.694713D+01
                66            67            68            69            70 
      1  -0.144377D+01  0.533736D+00 -0.879338D+01 -0.816654D+01  0.814717D+00
      2   0.905025D+01  0.743585D+00 -0.554677D+01 -0.423549D+00  0.180965D+01
      3   0.598574D+00 -0.196940D+00  0.107459D+02  0.547047D+01 -0.158571D+01
                71            72            73            74            75 
      1   0.144229D+01  0.242315D+01 -0.299064D+01 -0.195118D+01 -0.132930D+01
      2  -0.221463D+01  0.783490D+01 -0.107828D+02  0.628285D+00  0.143625D+02
      3   0.509971D+01  0.891037D+00 -0.116747D+02 -0.552998D+01  0.312506D+01
                76            77            78            79            80 
      1   0.666270D-01  0.852901D+01 -0.169816D+01  0.193890D+00  0.384989D+01
      2   0.565244D+00 -0.285449D+01  0.640216D+01  0.560600D+01  0.358861D+01
      3  -0.120174D+00  0.168216D+02  0.415783D+01  0.353043D+01  0.387826D+01
                81            82            83            84            85 
      1  -0.821136D+01  0.221909D+01 -0.238032D+01  0.519075D+00 -0.119019D+01
      2   0.171573D+02  0.248310D+01 -0.130386D+01 -0.126326D+01 -0.250088D+01
      3  -0.492792D+01 -0.330670D+01  0.315088D+01  0.131752D-01  0.327766D+01
                86            87            88            89            90 
      1   0.970153D+01  0.307462D+01  0.225723D+00  0.493902D+01  0.156758D+01
      2   0.675724D+01  0.490164D+01 -0.812081D+00  0.217251D+01  0.398146D+01
      3  -0.100975D+02 -0.650221D+01 -0.841879D+00 -0.521070D+01 -0.263154D+01
                91            92            93            94            95 
      1   0.319652D+00 -0.284505D+00  0.779131D+00 -0.499171D-01  0.148840D+01
      2  -0.934892D+00  0.175829D+00  0.210546D+01 -0.348569D+00 -0.256310D+01
      3   0.343816D+01 -0.242261D+01 -0.128472D+00  0.216003D+01  0.145503D+02
                96            97            98            99           100 
      1  -0.259494D+01  0.682730D+00  0.120252D+01 -0.570148D+00 -0.184012D+01
      2  -0.277373D+01 -0.633282D-01 -0.195949D+01 -0.111579D+01  0.575686D+00
      3   0.287599D+01  0.370584D+00  0.294461D+01  0.176746D+01 -0.403633D+01
               101           102           103           104           105 
      1   0.374843D+00  0.667215D+00  0.284718D+00 -0.105020D+02 -0.327393D+01
      2   0.876540D+00 -0.794833D+00  0.103820D+01  0.167329D+00  0.290094D+01
      3   0.940730D+00  0.469663D+00  0.344497D+01 -0.199272D+02 -0.507768D+00
               106           107           108           109           110 
      1   0.362759D+00 -0.289659D+00 -0.117281D+01  0.111599D+01  0.169481D+01
      2  -0.141432D+01  0.167451D+01 -0.716496D+00 -0.490098D+01 -0.670382D+00
      3   0.142708D+01 -0.257394D+01 -0.262388D+01  0.107326D+01  0.829534D+00
               111           112           113           114           115 
      1   0.126750D+01  0.970779D+00  0.513572D+00  0.127746D+01  0.774505D+00
      2  -0.731292D+01 -0.129083D+01 -0.270189D+01 -0.383433D+01 -0.665216D+01
      3  -0.520630D+00  0.163994D+01  0.960036D-02  0.231668D+01 -0.526677D+00
               116           117           118           119           120 
      1   0.414203D+01  0.469417D+01  0.166326D+01 -0.200414D+01 -0.218413D+00
      2  -0.156261D+01 -0.238858D+02  0.104459D+02 -0.117229D+01  0.455880D+01
      3   0.190009D+01  0.631985D+00  0.710675D+01 -0.664813D+01 -0.597633D+00
               121           122           123           124           125 
      1  -0.175902D+01  0.906093D-01 -0.665951D+00 -0.393289D+00  0.424795D+00
      2  -0.117312D+01  0.125444D+01 -0.215416D+01  0.109494D+01 -0.823373D+00
      3  -0.328829D+01  0.324672D+00  0.112724D-01 -0.103204D+01 -0.152394D+00
               126           127           128           129           130 
      1   0.683625D+00  0.669997D-01 -0.819020D-01  0.153856D+01  0.353666D-01
      2  -0.115156D+01  0.674176D+00 -0.439045D+00  0.162455D+00 -0.560694D+00
      3   0.144981D+01 -0.623902D+01  0.419239D+01  0.384309D+00  0.712799D+01
               131           132           133           134           135 
      1   0.468259D+00 -0.419499D+01 -0.393363D+00  0.167776D+01 -0.610869D-01
      2   0.989219D+00 -0.316201D+00 -0.142712D+01  0.144390D+00 -0.318767D-01
      3  -0.939475D+01 -0.948310D+00  0.604682D+00 -0.644837D+00  0.164384D-02
               136           137           138           139           140 
      1   0.142466D+00  0.345341D+00 -0.231916D+01 -0.150976D+00  0.149668D+00
      2  -0.185702D-02 -0.188801D-01  0.301069D+01  0.470801D+00  0.841345D+00
      3  -0.169022D+01 -0.471664D+01 -0.127508D+00 -0.375836D+01 -0.111588D+02
               141           142           143           144           145 
      1  -0.322780D+01  0.773397D+00  0.131450D+01 -0.179517D+00 -0.397512D-01
      2   0.346741D+01 -0.706968D+00 -0.322297D+00  0.192291D+00 -0.295359D+00
      3  -0.697145D+00 -0.539290D+00 -0.128757D+01 -0.303560D+00  0.937657D+00
               146           147           148           149           150 
      1  -0.865279D-01  0.695848D+00  0.243320D-01 -0.182123D-01 -0.383884D+00
      2  -0.635305D-01  0.624812D+01  0.742298D+00 -0.126974D+00 -0.920098D+00
      3  -0.531676D+01  0.117459D+00 -0.401492D+01  0.169821D+01  0.121461D+00
               151           152           153           154           155 
      1  -0.367763D+00  0.548997D+00 -0.160595D-02 -0.511262D-01 -0.483971D-01
      2  -0.236861D+01  0.104170D+00  0.856699D-01 -0.109225D+00  0.155257D+00
      3  -0.691656D+00  0.218110D+00  0.128208D+00  0.649788D+00 -0.212455D+01
               156           157           158           159           160 
      1   0.161060D+01  0.819336D-01  0.285374D+00 -0.442253D+01 -0.472568D+00
      2   0.143260D+01  0.217564D+00 -0.116158D+01 -0.295401D+01 -0.433063D+00
      3  -0.107840D+00 -0.135421D+01  0.142452D+02  0.114051D+01 -0.242783D+00
               161           162           163           164           165 
      1   0.157770D+01 -0.312918D+00  0.584676D+00  0.430687D+00 -0.241926D+01
      2   0.132283D+00 -0.465743D+00 -0.116124D+01 -0.459351D+00  0.767708D+00
      3   0.135657D+01  0.258504D+00  0.104454D+02  0.398806D+01 -0.118477D+00
               166           167           168           169           170 
      1  -0.642045D-01  0.947548D-01 -0.310270D+01  0.113156D+00  0.169334D+01
      2  -0.564871D+00 -0.602505D+00  0.132987D+01 -0.171290D+01 -0.227592D+00
      3   0.758558D+01  0.544464D+01  0.651287D+00 -0.343889D+00  0.604753D+00
               171           172           173           174           175 
      1  -0.549353D-02  0.454762D+00  0.170323D+01  0.762110D+00  0.523864D+00
      2   0.112651D+00 -0.120492D+02  0.672621D+00  0.326003D+01  0.192978D+01
      3   0.880087D-01 -0.358229D+01 -0.456805D+01 -0.696726D+00 -0.994515D+00
               176           177           178           179           180 
      1   0.312291D+00 -0.180408D+00  0.117554D+01  0.682140D+00 -0.124197D+00
      2   0.671145D+00 -0.130258D+01 -0.652099D-01 -0.892776D+00  0.394898D+00
      3  -0.211706D+00 -0.127981D+01 -0.818231D+00 -0.975521D+00 -0.701039D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.117182D+02  0.214302D+02  0.204952D+01 -0.190594D+02  0.126832D+02
      2  -0.121876D+02 -0.141746D+02 -0.439136D+00  0.176907D+02 -0.192420D+02
      3   0.469411D+00 -0.725564D+01 -0.161039D+01  0.136873D+01  0.655885D+01
      4   0.182181D+02 -0.739500D+01 -0.105540D+01  0.107464D+02  0.603470D+01
      5   0.153534D+01 -0.677367D+00  0.301048D-01 -0.314690D+00  0.298044D+01
      6  -0.171835D+01 -0.282487D+00 -0.372148D+01  0.234025D+01 -0.503467D+01
                 6             7             8             9            10 
      1   0.188457D+01 -0.201622D+01  0.120946D+01 -0.550134D+01 -0.193034D+01
      2  -0.312723D+01  0.269398D+01 -0.449808D+01 -0.240587D+01  0.568428D+00
      3   0.124266D+01 -0.677763D+00  0.328862D+01  0.790721D+01  0.136191D+01
      4   0.299574D+01 -0.242707D+00  0.396988D+01 -0.144601D+02 -0.147123D+02
      5  -0.973602D+01  0.122013D+02 -0.151251D+02 -0.420045D+01 -0.555448D+00
      6   0.599586D+01 -0.701645D+01  0.158783D+02  0.135238D+01  0.279695D+00
                11            12            13            14            15 
      1  -0.173315D+02 -0.211020D+01  0.625318D+01  0.503590D+01  0.224705D+01
      2   0.133079D+02 -0.971370D-01 -0.164059D+02 -0.838728D+01 -0.160771D+01
      3   0.402353D+01  0.220733D+01  0.101527D+02  0.335138D+01 -0.639337D+00
      4  -0.979629D+01 -0.688978D+00  0.581466D+01 -0.145874D+02 -0.120627D+01
      5  -0.781729D+00 -0.248496D+01  0.536309D+00 -0.113271D+01 -0.141426D+00
      6   0.359954D+00  0.524926D+01 -0.393708D+01 -0.288268D+01  0.457950D+01
                16            17            18            19            20 
      1   0.882086D+00  0.227645D+01 -0.146345D+02 -0.204633D+02  0.348578D+01
      2  -0.314349D+01 -0.341945D+01  0.136361D+01  0.594771D+01 -0.294777D+01
      3   0.226140D+01  0.114300D+01  0.132709D+02  0.145156D+02 -0.538005D+00
      4   0.104275D+01 -0.136986D+01 -0.307144D+01  0.202041D+01  0.183148D+01
      5   0.122280D+01 -0.132807D+01  0.346903D+00  0.136364D+01 -0.182951D+00
      6   0.647123D+01  0.112009D+02  0.201698D+00 -0.136205D+01 -0.379305D+00
                21            22            23            24            25 
      1   0.156736D+01 -0.168949D+01 -0.117558D+02 -0.707064D+00 -0.471888D-01
      2   0.794766D-01  0.577722D+01  0.177056D+02  0.353153D+01  0.187618D+01
      3  -0.164683D+01 -0.408773D+01 -0.594974D+01 -0.282447D+01 -0.182899D+01
      4  -0.146628D+00 -0.133928D+02  0.190346D+01 -0.807098D+00 -0.240285D+01
      5   0.847426D+00 -0.300860D+01 -0.548777D+00  0.221458D+01  0.770518D+01
      6  -0.155487D+01  0.150618D+01  0.250978D+01 -0.329868D+01 -0.166215D+01
                26            27            28            29            30 
      1  -0.935335D+00 -0.619284D+01  0.127740D+02  0.118100D+02  0.768125D+00
      2   0.213688D+01 -0.447459D+01 -0.102285D+02 -0.887970D+01  0.463275D-01
      3  -0.120154D+01  0.106674D+02 -0.254553D+01 -0.293031D+01 -0.814452D+00
      4  -0.467790D+00  0.975312D+00  0.762070D+01 -0.171324D+02 -0.156978D+01
      5   0.522937D+00 -0.806313D+00  0.814703D-01 -0.159500D+01 -0.324034D+01
      6   0.403656D+01 -0.218035D+01 -0.625998D+00 -0.325408D+00 -0.314480D+01
                31            32            33            34            35 
      1  -0.311925D+00  0.112030D+02  0.178628D+01  0.779185D-01  0.156339D+01
      2   0.895688D+01 -0.173918D+02 -0.312147D+01  0.210721D+01 -0.463470D+01
      3  -0.864496D+01  0.618883D+01  0.133519D+01 -0.218513D+01  0.307130D+01
      4   0.101983D+02  0.136230D+02  0.779397D+00 -0.366548D+00  0.468255D+00
      5   0.885850D+00  0.923749D+00  0.174884D+01  0.442600D+01  0.508028D+01
      6   0.207583D+01 -0.393552D+01  0.586230D+01 -0.244792D+01  0.159608D+02
                36            37            38            39            40 
      1  -0.150490D+02 -0.170984D+01 -0.245439D+02 -0.295623D+01  0.256050D+02
      2   0.266918D+01 -0.879111D+00  0.161277D+02  0.636659D+00 -0.254700D+02
      3   0.123798D+02  0.258895D+01  0.841627D+01  0.231957D+01 -0.135017D+00
      4   0.626552D+01 -0.169967D+02  0.195598D+01  0.964913D-01  0.189910D+00
      5   0.206285D+01 -0.114147D+01 -0.636475D-02  0.495979D+01 -0.225598D+01
      6   0.263039D+01 -0.298236D+00  0.106211D+01  0.497017D+01 -0.350335D+01
                41            42            43            44            45 
      1   0.601885D+01  0.495685D+00  0.231638D+01  0.924308D+00  0.142282D+01
      2  -0.103003D+02 -0.881504D+00 -0.465812D+01 -0.311604D+01 -0.783909D+01
      3   0.428144D+01  0.385819D+00  0.234174D+01  0.219173D+01  0.641627D+01
      4  -0.121757D+02 -0.410491D+01 -0.158098D+01 -0.451827D+01  0.149634D+02
      5  -0.398808D+01  0.106316D+02  0.186462D+02  0.152901D+02  0.385687D+01
      6  -0.346249D+01  0.344706D+01  0.791507D+01  0.118852D+02 -0.147193D+00
                46            47            48            49            50 
      1  -0.151193D+02  0.493384D+01  0.805277D+00 -0.931223D+01 -0.235790D+02
      2   0.102335D+02 -0.335045D+01 -0.285276D+00  0.946632D+01  0.209027D+02
      3   0.488576D+01 -0.158339D+01 -0.520000D+00 -0.154084D+00  0.267636D+01
      4   0.301660D+01  0.207855D+02  0.508830D+00 -0.213708D+02  0.380255D+01
      5   0.940534D+00  0.402650D+00  0.150754D+02 -0.552969D+01  0.907572D+00
      6   0.685648D+00  0.608760D-01 -0.189190D+01  0.131091D+01  0.227056D+01
                51            52            53            54            55 
      1  -0.394316D+01 -0.513919D+00 -0.386328D+01  0.137777D+02  0.128739D+02
      2   0.465107D+01  0.177758D+01  0.314779D+01 -0.176016D+02 -0.525367D+01
      3  -0.707911D+00 -0.126366D+01  0.715485D+00  0.382390D+01 -0.762027D+01
      4   0.135112D+01 -0.608790D+01  0.114691D+01 -0.385723D+01 -0.621139D+01
      5  -0.269627D+01  0.350097D+02 -0.372748D+01 -0.110947D+01  0.343810D+00
      6  -0.329214D+01 -0.261058D+01  0.411959D+01 -0.195148D+01  0.197940D+01
                56            57            58            59            60 
      1  -0.328595D+01  0.244939D+01 -0.798666D+01  0.294040D+01  0.560372D+01
      2   0.288129D+01 -0.767244D-01  0.106958D+02 -0.123832D+02 -0.766211D+01
      3   0.404653D+00 -0.237266D+01 -0.270911D+01  0.944280D+01  0.205839D+01
      4  -0.782664D+01  0.519630D+01 -0.811978D+01  0.264090D+02  0.124906D+02
      5   0.486911D+01 -0.182775D+02  0.795193D+01  0.118119D+02 -0.119371D+02
      6   0.556292D+00 -0.617362D+00  0.403236D+01 -0.654997D+01 -0.605292D+00
                61            62            63            64            65 
      1   0.601892D+00  0.235460D+01 -0.819032D+01 -0.412493D+02  0.147663D+01
      2   0.241653D+01 -0.477847D+01  0.102556D+02  0.192073D+02 -0.751014D-01
      3  -0.301842D+01  0.242386D+01 -0.206530D+01  0.220420D+02 -0.140153D+01
      4   0.584663D+01  0.102677D+02 -0.486974D+01  0.393123D+01  0.101501D+02
      5  -0.350703D+02 -0.544853D+01  0.388673D+01 -0.172592D+02 -0.340528D+01
      6  -0.243518D+01 -0.832673D+01  0.429003D+01 -0.141519D+01  0.469086D+01
                66            67            68            69            70 
      1  -0.609242D+01 -0.795568D+00  0.578505D+01  0.186796D+01 -0.173116D+01
      2   0.805700D+00  0.116151D+01  0.330757D+01 -0.327489D+00 -0.722580D+01
      3   0.528672D+01 -0.365940D+00 -0.909262D+01 -0.154048D+01  0.895696D+01
      4  -0.382453D+01  0.999962D+01 -0.180296D+02 -0.524301D+01 -0.433963D+01
      5   0.101131D+02 -0.609189D+01 -0.243731D+01 -0.395822D+01  0.245159D+02
      6  -0.140988D+01  0.340934D+01 -0.140746D+02 -0.820842D+00 -0.115552D+01
                71            72            73            74            75 
      1   0.826788D+00 -0.654607D+01 -0.537487D+02  0.857929D+01  0.124771D+02
      2   0.156071D+01 -0.166870D+02  0.299886D+02 -0.289926D+01  0.288972D+01
      3  -0.238750D+01  0.232330D+02  0.237602D+02 -0.568003D+01 -0.153668D+02
      4  -0.719873D+01 -0.399098D+01  0.100677D+02  0.689845D+01 -0.327652D+01
      5  -0.381875D+01  0.230118D+02  0.156660D+02 -0.612499D+01  0.175407D+02
      6   0.334262D+01 -0.514825D+01 -0.623184D+01 -0.284417D+01  0.240105D+01
                76            77            78            79            80 
      1   0.151566D+02  0.774151D+01  0.100546D+01  0.313583D+01  0.226568D+01
      2  -0.104255D+02 -0.156660D+02  0.540255D+01  0.558302D+01  0.597605D+00
      3  -0.473104D+01  0.792447D+01 -0.640801D+01 -0.871885D+01 -0.286329D+01
      4   0.637797D+01 -0.240180D+02 -0.841324D+01 -0.640050D+01 -0.717560D+01
      5  -0.114959D+02 -0.104352D+02  0.151860D+02  0.206637D+02  0.982743D+01
      6  -0.334287D+01  0.821114D+01  0.479341D+01  0.365426D+01  0.552140D+01
                81            82            83            84            85 
      1   0.255639D+02 -0.927431D+00  0.280793D+01  0.335905D+01  0.684072D+01
      2   0.316546D+00  0.122348D+01 -0.137688D+01 -0.204701D+00 -0.443236D+01
      3  -0.258805D+02 -0.296050D+00 -0.143105D+01 -0.315435D+01 -0.240836D+01
      4   0.125705D+02  0.226946D+01 -0.330894D+01  0.374752D+00  0.147919D+01
      5   0.320208D+01  0.680888D+00  0.135574D+01 -0.149164D+01  0.515281D+01
      6  -0.899716D+01  0.230368D+01 -0.276531D+01 -0.354755D+00 -0.453836D+00
                86            87            88            89            90 
      1  -0.101289D+02 -0.477802D+01  0.257873D+01 -0.283010D+01 -0.543735D+01
      2   0.500853D+01 -0.534896D+00 -0.142712D+01 -0.622128D+00 -0.136172D+01
      3   0.512042D+01  0.531292D+01 -0.115161D+01  0.345223D+01  0.679906D+01
      4   0.173971D+02  0.108960D+02  0.105332D+01  0.929735D+01  0.397439D+01
      5   0.841326D+01  0.850179D+01  0.256482D+01  0.372561D+01  0.655513D+01
      6   0.141283D+02  0.110983D+02  0.286288D+00  0.919782D+01  0.441804D+01
                91            92            93            94            95 
      1   0.163288D+01 -0.356888D+01 -0.935439D+00 -0.239956D+01 -0.113410D+02
      2   0.332054D+01 -0.223828D+00  0.902549D-01 -0.281958D+01  0.257278D+02
      3  -0.495342D+01  0.379271D+01  0.845184D+00  0.521913D+01 -0.143867D+02
      4  -0.811155D+01  0.109608D+02  0.144471D+01  0.124864D+02 -0.314483D+02
      5  -0.212821D+01  0.130159D+01  0.548296D+01  0.962243D+00 -0.514909D+01
      6   0.183773D+01 -0.134032D+01 -0.181916D+00 -0.150844D+01  0.762686D+01
                96            97            98            99           100 
      1  -0.234513D+01 -0.477557D+00 -0.220015D+01 -0.253826D+01  0.426382D+01
      2   0.440123D+01 -0.544691D-01  0.292600D+01  0.242101D+01  0.693283D+00
      3  -0.205610D+01  0.532026D+00 -0.725851D+00  0.117253D+00 -0.495711D+01
      4  -0.572312D+01  0.145139D+01 -0.578399D+01 -0.522191D+01  0.327931D+01
      5  -0.588325D+01  0.574282D+01 -0.463669D+01 -0.358588D+01 -0.435130D+00
      6   0.581746D+01 -0.143154D+01  0.803628D+01  0.305078D+01 -0.645676D+00
               101           102           103           104           105 
      1   0.385419D+01 -0.173435D+01  0.612169D+01 -0.113995D+02  0.137207D+01
      2  -0.198666D+01 -0.648770D+00 -0.231941D+01  0.249305D+02  0.158122D+01
      3  -0.186754D+01  0.238312D+01 -0.380228D+01 -0.135311D+02 -0.295330D+01
      4   0.309769D+01  0.576530D+00  0.850165D+01  0.343553D+02 -0.108505D+01
      5  -0.644984D+00 -0.184952D+01 -0.392275D+01  0.469389D-01  0.652331D+01
      6   0.255987D+00 -0.933092D+00 -0.174694D+01 -0.146003D+02  0.515340D+01
               106           107           108           109           110 
      1   0.218447D+01  0.127037D+01 -0.499762D+01 -0.218054D+01 -0.192467D+01
      2  -0.187805D+01  0.179208D+01  0.261957D+01 -0.313420D+01  0.316639D+00
      3  -0.306418D+00 -0.306246D+01  0.237805D+01  0.531475D+01  0.160803D+01
      4   0.206333D+01  0.393604D+01  0.300910D+01 -0.205047D+01 -0.167378D+01
      5  -0.141230D+01  0.332910D+01  0.476560D+00 -0.144425D+01  0.102360D+01
      6  -0.895642D-01  0.374810D+01  0.136254D+00  0.924427D+00  0.242633D+01
               111           112           113           114           115 
      1  -0.126949D+02 -0.357328D+01 -0.575377D+01 -0.367773D+01 -0.878618D+01
      2  -0.156794D+01  0.199333D+01  0.137942D+01 -0.245728D+01  0.239506D+01
      3   0.142629D+02  0.157995D+01  0.437435D+01  0.613502D+01  0.639112D+01
      4  -0.713580D+00  0.122810D+00 -0.282742D+00 -0.416074D+01 -0.140385D+01
      5  -0.255724D+01  0.254962D+01 -0.269498D+01 -0.572218D+01  0.537750D+01
      6   0.787080D-01  0.105619D+01  0.154727D+01  0.783723D+01 -0.490309D-01
               116           117           118           119           120 
      1  -0.171388D+01 -0.307876D+02  0.836848D+02 -0.590960D+01 -0.890860D+01
      2  -0.143476D+01 -0.168344D+02 -0.464307D+02  0.334440D+01  0.792406D+01
      3   0.314864D+01  0.476220D+02 -0.372541D+02  0.256520D+01  0.984540D+00
      4  -0.428692D+01 -0.378298D+01 -0.167982D+01  0.103456D+02 -0.446652D-01
      5  -0.142703D+01 -0.325100D+02 -0.319682D+02  0.164157D+01  0.147671D+02
      6   0.616333D+01  0.100476D+00  0.243881D+01 -0.337828D+01  0.306584D+00
               121           122           123           124           125 
      1  -0.124322D+02  0.743948D+01  0.727660D+00 -0.724973D+00  0.152822D-01
      2   0.705008D+01 -0.185283D+01 -0.197147D+01  0.337498D+01 -0.531352D+00
      3   0.538211D+01 -0.558664D+01  0.124381D+01 -0.265001D+01  0.516069D+00
      4   0.116120D+02 -0.179868D+01 -0.902152D+00  0.966399D+00  0.553772D+00
      5   0.596652D+01 -0.251484D+01 -0.507727D+01  0.123755D+02 -0.205571D+01
      6  -0.361958D+01  0.676647D+00  0.117653D+01  0.114493D+00  0.659450D+00
               126           127           128           129           130 
      1   0.555470D+01 -0.562547D+01  0.887338D+01  0.902762D+00  0.761189D+01
      2  -0.626139D+01  0.739499D+01 -0.109652D+02 -0.666788D+00 -0.967078D+01
      3   0.706693D+00 -0.176952D+01  0.209180D+01 -0.235974D+00  0.205889D+01
      4  -0.199330D+01 -0.350226D+01  0.724597D+01  0.583407D+00  0.519384D+01
      5  -0.605291D+01 -0.339360D+00  0.643203D+00  0.102232D+01  0.476362D+00
      6   0.756976D+00  0.983162D+00 -0.117185D+01 -0.194722D+01 -0.109649D+01
               131           132           133           134           135 
      1  -0.348050D+02 -0.291360D+01  0.881151D+00 -0.276884D+01 -0.208305D+01
      2   0.476711D+02  0.277806D+01 -0.105281D+01  0.333190D+01  0.284706D+01
      3  -0.128660D+02  0.135545D+00  0.171658D+00 -0.563064D+00 -0.764015D+00
      4   0.176720D+01  0.291482D+00  0.398337D+00  0.228298D+00 -0.138805D+01
      5   0.370928D+00  0.667216D-01  0.676037D+00 -0.632286D+00 -0.180724D+00
      6   0.502313D+01  0.700142D+01 -0.628763D+00  0.324801D+01  0.100927D+01
               136           137           138           139           140 
      1   0.228892D+02  0.143519D+02  0.131252D+01  0.925464D+01  0.362711D+01
      2  -0.435194D+01  0.761753D+00 -0.553628D+00  0.649045D+01  0.169292D+02
      3  -0.185372D+02 -0.151137D+02 -0.758891D+00 -0.157451D+02 -0.205563D+02
      4   0.340753D+02  0.308165D+02  0.214444D+01  0.340100D+02  0.444961D+02
      5   0.342113D+01  0.244473D+01  0.603004D+01  0.342367D+01  0.394290D+01
      6   0.141498D+01  0.119035D+01  0.331414D+01  0.219839D+01  0.306994D+01
               141           142           143           144           145 
      1   0.361075D+00  0.696192D+00  0.200148D+00  0.146632D+00  0.988315D+02
      2   0.384460D+00  0.427465D+00  0.121742D+01  0.121746D+01 -0.555450D+02
      3  -0.745535D+00 -0.112366D+01 -0.141757D+01 -0.136410D+01 -0.432865D+02
      4   0.347495D+01  0.329326D+01  0.405341D+01  0.332751D+01 -0.161850D+02
      5   0.566957D+01  0.239546D+01  0.268486D+01  0.942021D+00 -0.178539D+01
      6   0.566159D+01  0.197464D+01  0.297195D+01  0.101292D+01 -0.111566D+01
               146           147           148           149           150 
      1  -0.100075D+02 -0.162321D+01 -0.877977D+01  0.101437D+02  0.721843D+00
      2   0.491191D+01  0.108584D+01  0.363145D+01 -0.452802D+01 -0.591177D+00
      3   0.509563D+01  0.537363D+00  0.514832D+01 -0.561572D+01 -0.130666D+00
      4   0.101711D+02  0.767172D-01  0.166497D+02 -0.529976D+01 -0.430689D+00
      5  -0.120356D-01  0.106081D+02  0.142821D+01 -0.359641D+00 -0.136906D+01
      6   0.749366D-01 -0.970740D+00 -0.134736D+00 -0.787472D-01  0.146883D+01
               151           152           153           154           155 
      1  -0.121139D+01  0.721290D+00  0.395490D+01  0.514239D+01 -0.468472D+01
      2   0.625304D+00 -0.409951D+00 -0.232075D+01  0.394828D+01 -0.558198D+01
      3   0.586085D+00 -0.311340D+00 -0.163415D+01 -0.909067D+01  0.102667D+02
      4   0.147846D+01 -0.461522D+00 -0.846374D+00 -0.185866D+02  0.232752D+02
      5   0.348441D+01 -0.596294D+00  0.157072D-01 -0.184058D+01  0.200767D+01
      6  -0.348571D+00  0.644290D+00  0.158162D+00  0.134980D+01 -0.151315D+01
               156           157           158           159           160 
      1  -0.489956D+00  0.121976D+01 -0.173223D+02 -0.164422D+01  0.430050D-01
      2  -0.174384D+00 -0.122632D+02  0.413386D+02  0.262050D+01 -0.886829D+00
      3   0.664340D+00  0.110434D+02 -0.240163D+02 -0.976275D+00  0.843824D+00
      4   0.219904D+01  0.242995D+02 -0.485888D+02 -0.435034D+01  0.242404D+01
      5   0.355955D+01  0.221386D+01 -0.396554D+01 -0.510064D+01  0.152111D+01
      6  -0.234347D+01 -0.222604D+01  0.555196D+01  0.755447D+01 -0.165063D+01
               161           162           163           164           165 
      1  -0.147152D+01 -0.164929D+01 -0.450532D+01 -0.685951D+01 -0.773232D+00
      2   0.309694D+01  0.279299D+01  0.633814D+01  0.948806D+01  0.629609D+00
      3  -0.162542D+01 -0.114370D+01 -0.183282D+01 -0.262855D+01  0.143623D+00
      4  -0.467117D+01 -0.284425D+01  0.903447D+01  0.836237D+01  0.503921D+00
      5  -0.197508D+01 -0.129994D+01 -0.188419D+00  0.372168D+00  0.203497D+01
      6   0.387585D+01  0.167503D+01  0.748324D+00  0.101386D+01  0.248849D+01
               166           167           168           169           170 
      1  -0.794785D+01 -0.205163D+02 -0.201314D+01 -0.843793D+00 -0.196095D+01
      2   0.110948D+02  0.276517D+02  0.160306D+01  0.133652D+01  0.232846D+01
      3  -0.314697D+01 -0.713541D+01  0.410086D+00 -0.492729D+00 -0.367506D+00
      4   0.843171D+01  0.841627D+01  0.480797D+00  0.684185D+00  0.726100D+00
      5   0.622243D+00  0.481047D+00  0.155467D+01  0.100782D+01  0.863482D+00
      6   0.135271D+01  0.280177D+01  0.490793D+01  0.828075D+00  0.204898D+01
               171           172           173           174           175 
      1  -0.574109D+00  0.691109D+02 -0.278018D+01  0.115532D+02 -0.412888D+01
      2   0.146910D+01 -0.385845D+02  0.968363D+00 -0.893604D+01  0.504947D+00
      3  -0.894996D+00 -0.305264D+02  0.181182D+01 -0.261715D+01  0.362394D+01
      4   0.222098D+01 -0.496708D+01  0.711406D+01  0.179322D+00  0.836613D+01
      5   0.300663D+00  0.342472D+02 -0.669443D-01  0.142906D+02  0.449815D+00
      6   0.705728D+00 -0.153264D+01  0.230872D+01  0.263083D+00  0.148152D+01
               176           177           178           179           180 
      1   0.339848D+01  0.223911D+01  0.349184D+01  0.240669D+01  0.278678D+01
      2  -0.163099D+01 -0.125216D+01 -0.375002D+01 -0.400436D+00 -0.315983D+01
      3  -0.176749D+01 -0.986942D+00  0.258176D+00 -0.200625D+01  0.373049D+00
      4  -0.144545D+01  0.286081D+01  0.212286D+01  0.128610D+01 -0.980329D+00
      5   0.334745D+01 -0.475622D+00  0.854293D+01 -0.227811D-01  0.428265D+01
      6  -0.234010D+00  0.212264D+01  0.811906D+00  0.166501D+01 -0.509316D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104645D+03      0.155068D+02      0.172536D+02
   aniso      0.480196D+02      0.711577D+01      0.791736D+01
   xx         0.131597D+03      0.195006D+02      0.216973D+02
   yx         0.530071D+00      0.785484D-01      0.873969D-01
   yy         0.105878D+03      0.156894D+02      0.174569D+02
   zx        -0.805692D+00     -0.119391D+00     -0.132841D+00
   zy         0.256438D+01      0.380002D+00      0.422810D+00
   zz         0.764610D+02      0.113304D+02      0.126067D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104645D+03      0.155068D+02      0.172536D+02
   aniso      0.480196D+02      0.711577D+01      0.791736D+01
   xx         0.115281D+03      0.170830D+02      0.190073D+02
   yx         0.128811D+02      0.190878D+01      0.212381D+01
   yy         0.977908D+02      0.144911D+02      0.161235D+02
   zx         0.212249D+02      0.314521D+01      0.349952D+01
   zy        -0.806209D+01     -0.119468D+01     -0.132926D+01
   zz         0.100863D+03      0.149463D+02      0.166300D+02

 ----------------------------------------------------------------------
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 I take a simple view of life: keep your eyes open and get on with it.
 -- Laurence Olivier
 Job cpu time:       0 days  2 hours 27 minutes 56.5 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 33.1 seconds.
 File lengths (MBytes):  RWF=    264 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:04:44 2021.
